5-[(4-ethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(4-ethoxyphenyl)methyl]-N-(2-furylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(4-ethoxyphenyl)methyl]-N-(2-furanylmethyl)-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(4-ethoxybenzyl)-N-(2-furfuryl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H24N2O4S MolecularWeight: 484.56616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C28H24N2O4S/c1-2-33-21-12-9-19(10-13-21)18-30-24-16-20(27(31)29-17-22-6-5-15-34-22)11-14-26(24)35-25-8-4-3-7-23(25)28(30)32/h3-16H,2,17-18H2,1H3,(H,29,31)