N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C19H18N2O4S/c1-11(12-2-4-15-16(9-12)25-10-24-15)20-19(23)13-3-5-17-14(8-13)21-18(22)6-7-26-17/h2-5,8-9,11H,6-7,10H2,1H3,(H,20,23)(H,21,22)