ethyl 5-[(2-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: ethyl 5-[(2-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: ethyl 5-(o-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(2-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-keto-5-(2-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxylic acid ethyl ester Formula: C24H21NO3S MolecularWeight: 403.49344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4C

InChI

InChI=1S/C24H21NO3S/c1-3-28-24(27)17-12-13-22-20(14-17)25(15-18-9-5-4-8-16(18)2)23(26)19-10-6-7-11-21(19)29-22/h4-14H,3,15H2,1-2H3