N-(2-methoxyethyl)-5-[(2-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(2-methoxyethyl)-5-[(2-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-methoxyethyl)-5-(o-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-methoxyethyl)-5-[(2-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(2-methoxyethyl)-5-[(2-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-(2-methoxyethyl)-5-(2-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N2O3S MolecularWeight: 432.53466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)NCCOC)SC4=CC=CC=C4C2=O

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)NCCOC)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C25H24N2O3S/c1-17-7-3-4-8-19(17)16-27-21-15-18(24(28)26-13-14-30-2)11-12-23(21)31-22-10-6-5-9-20(22)25(27)29/h3-12,15H,13-14,16H2,1-2H3,(H,26,28)