N-(4-ethoxyphenyl)-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(4-ethoxyphenyl)-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(4-ethoxyphenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(4-ethoxyphenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-(4-ethoxyphenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-p-phenetyl-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H18N2O3S/c1-2-27-16-10-8-15(9-11-16)23-21(25)14-7-12-20-18(13-14)24-22(26)17-5-3-4-6-19(17)28-20/h3-13H,2H2,1H3,(H,23,25)(H,24,26)