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

Systemtic Name: 5-[(3-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylic acid Openeye Name: 5-(m-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylic acid CAS Name: 5-[(3-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: 5-[(3-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylic acid Traditional Name: 6-keto-5-(3-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxylic acid Formula: C22H17NO3S MolecularWeight: 375.44028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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