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

Systemtic Name: [2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl] 3,4-dimethylbenzoate Openeye Name: [2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic 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] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic 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)C3=CC(=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3S/c1-14-8-9-17(12-15(14)2)21(24)25-13-20(23)22-11-10-16(3)26-19-7-5-4-6-18(19)22/h4-9,12,16H,10-11,13H2,1-3H3/t16-/m1/s1