methyl 6,8-dimethylbenzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: methyl 6,8-dimethylbenzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: methyl 6,8-dimethylbenzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 6,8-dimethyl-3-benzo[b][1,4]benzothiazepinecarboxylic acid methyl ester IUPAC Name: methyl 6,8-dimethylbenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6,8-dimethylbenzo[b][1,4]benzothiazepine-3-carboxylic acid methyl ester Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)OC)N=C2C

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)OC)N=C2C

InChI

InChI=1S/C17H15NO2S/c1-10-4-6-15-13(8-10)11(2)18-14-9-12(17(19)20-3)5-7-16(14)21-15/h4-9H,1-3H3