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

Systemtic Name: propan-2-yl (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxylate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C26H32N2O6S MolecularWeight: 500.60708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)OC(=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/C26H32N2O6S/c1-16(2)33-26(31)19-9-12-22-21(15-19)28(14-13-27(4)5)25(30)23(34-17(3)29)24(35-22)18-7-10-20(32-6)11-8-18/h7-12,15-16,23-24H,13-14H2,1-6H3/t23-,24+/m1/s1