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

Systemtic Name: ethyl 5-[(2-cyanophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: ethyl 5-[(2-cyanophenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(2-cyanophenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-cyanophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-(2-cyanobenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid ethyl ester Formula: C24H18N2O3S MolecularWeight: 414.47632

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C24H18N2O3S/c1-2-29-24(28)16-11-12-22-20(13-16)26(15-18-8-4-3-7-17(18)14-25)23(27)19-9-5-6-10-21(19)30-22/h3-13H,2,15H2,1H3