ethyl (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxylate

Systemtic Name: ethyl (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxylate Openeye Name: ethyl (2S,3S)-3-acetoxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxylate CAS Name: (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxylate Traditional Name: (2S,3S)-3-acetoxy-5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxylic acid ethyl ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O6S/c1-6-32-25(30)18-9-12-21-20(15-18)27(14-13-26(3)4)24(29)22(33-16(2)28)23(34-21)17-7-10-19(31-5)11-8-17/h7-12,15,22-23H,6,13-14H2,1-5H3/t22-,23+/m1/s1