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

Systemtic Name: methyl 5-[(3-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: methyl 5-(m-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(3-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-keto-5-(3-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxylic acid methyl ester Formula: C23H19NO3S MolecularWeight: 389.46686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO3S/c1-15-6-5-7-16(12-15)14-24-19-13-17(23(26)27-2)10-11-21(19)28-20-9-4-3-8-18(20)22(24)25/h3-13H,14H2,1-2H3