N-(2,5-diethoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-(2,5-diethoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(2,5-diethoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(2,5-diethoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(2,5-diethoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(2,5-diethoxyphenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H22N2O4S/c1-3-25-14-6-7-17(26-4-2)15(12-14)22-20(24)13-5-8-18-16(11-13)21-19(23)9-10-27-18/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,23)(H,22,24)