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

Systemtic Name: N-[1-(5-methylfuran-2-yl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[1-(5-methyl-2-furyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[1-(5-methyl-2-furanyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[1-(5-methylfuran-2-yl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[1-(5-methyl-2-furyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC1=CC=C(O1)C(C)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C17H18N2O3S/c1-10-3-5-14(22-10)11(2)18-17(21)12-4-6-15-13(9-12)19-16(20)7-8-23-15/h3-6,9,11H,7-8H2,1-2H3,(H,18,21)(H,19,20)