5-[(4-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: 5-[(4-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: 6-oxo-5-(p-tolylmethyl)benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(4-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylate IUPAC Name: 5-[(4-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-keto-5-(4-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxylate Formula: C22H16NO3S- MolecularWeight: 374.43234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)[O-])SC4=CC=CC=C4C2=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)[O-])SC4=CC=CC=C4C2=O

InChI

InChI=1S/C22H17NO3S/c1-14-6-8-15(9-7-14)13-23-18-12-16(22(25)26)10-11-20(18)27-19-5-3-2-4-17(19)21(23)24/h2-12H,13H2,1H3,(H,25,26)/p-1