(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-7-methyl-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: (2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-7-methyl-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(C(C(=O)N2CCN(C)C)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC2=C(C=C1)S[C@H]([C@H](C(=O)N2CCN(C)C)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O3S/c1-14-5-10-18-17(13-14)23(12-11-22(2)3)21(25)19(24)20(27-18)15-6-8-16(26-4)9-7-15/h5-10,13,19-20,24H,11-12H2,1-4H3/t19-,20+/m1/s1