D6C

[(2~{S},3~{R})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate


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Chemical Component Summary

Name[(2~{S},3~{R})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate
Identifiers[(2~{S},3~{R})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate
FormulaC22 H26 N2 O4 S
Molecular Weight414.518
TypeNON-POLYMER
Isomeric SMILESCC(=O)O[C@H]1[C@@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC
InChIInChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21-/m0/s1
InChIKeyHSUGRBWQSSZJOP-SFTDATJTSA-N

Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count2
Bond Count57
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 978318