[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)ethanoate

Systemtic Name: [2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)ethanoate Openeye Name: [2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl] 2-(p-tolyl)acetate CAS Name: 2-(4-methylphenyl)acetic acid [2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl] 2-(4-methylphenyl)acetate Traditional Name: 2-(p-tolyl)acetic acid [2-keto-2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl] ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)CC3=CC=C(C=C3)C

Isomeric SMILES

C[C@@H]1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)CC3=CC=C(C=C3)C

InChI

InChI=1S/C21H23NO3S/c1-15-7-9-17(10-8-15)13-21(24)25-14-20(23)22-12-11-16(2)26-19-6-4-3-5-18(19)22/h3-10,16H,11-14H2,1-2H3/t16-/m1/s1