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

Systemtic Name: N-[2-(2-methylpropanoylamino)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(2-methylpropanoylamino)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(2-methylpropanoylamino)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[2-(isobutyrylamino)ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

InChI

InChI=1S/C16H21N3O3S/c1-10(2)15(21)17-6-7-18-16(22)11-3-4-13-12(9-11)19-14(20)5-8-23-13/h3-4,9-10H,5-8H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)