methyl 4-[(2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]benzoate

Systemtic Name: methyl 4-[(2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]benzoate Openeye Name: methyl 4-[(2S,3S)-3-acetoxy-5-(2-dimethylaminoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]benzoate CAS Name: 4-[(2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S,3S)-3-acetyloxy-5-(2-dimethylaminoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]benzoate Traditional Name: 4-[(2S,3S)-3-acetoxy-5-(2-dimethylaminoethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]benzoic acid methyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H26N2O5S/c1-15(26)30-20-21(16-9-11-17(12-10-16)23(28)29-4)31-19-8-6-5-7-18(19)25(22(20)27)14-13-24(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1