(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-8-methylsulfanyl-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: (2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-8-methylsulfanyl-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-methylsulfanyl-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-(methylthio)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-methylsulfanyl-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-8-(methylthio)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C=C(C=C2)SC)SC(C(C1=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)CCN1C2=C(C=C(C=C2)SC)S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O3S2/c1-22(2)11-12-23-17-10-9-16(27-4)13-18(17)28-20(19(24)21(23)25)14-5-7-15(26-3)8-6-14/h5-10,13,19-20,24H,11-12H2,1-4H3/t19-,20+/m1/s1