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

Systemtic Name: 2-methoxyethyl (2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxylate Openeye Name: 2-methoxyethyl (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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (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 2-methoxyethyl ester Formula: C26H32N2O7S MolecularWeight: 516.60648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=C(C=C(C=C2)C(=O)OCCOC)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](SC2=C(C=C(C=C2)C(=O)OCCOC)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H32N2O7S/c1-17(29)35-23-24(18-6-9-20(33-5)10-7-18)36-22-11-8-19(26(31)34-15-14-32-4)16-21(22)28(25(23)30)13-12-27(2)3/h6-11,16,23-24H,12-15H2,1-5H3/t23-,24+/m1/s1