(3R)-5-(3-methylbutyl)-3-(3-methylsulfanylpropylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxamide

Systemtic Name: (3R)-5-(3-methylbutyl)-3-(3-methylsulfanylpropylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Openeye Name: (3R)-5-isopentyl-3-(3-methylsulfanylpropylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide CAS Name: (3R)-5-(3-methylbutyl)-3-[3-(methylthio)propylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide IUPAC Name: (3R)-5-(3-methylbutyl)-3-(3-methylsulfanylpropylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Traditional Name: (3R)-5-isoamyl-4-keto-3-[3-(methylthio)propylamino]-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Formula: C19H29N3O2S2 MolecularWeight: 395.58246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)C(=O)N)SCC(C1=O)NCCCSC

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)C(=O)N)SC[C@@H](C1=O)NCCCSC

InChI

InChI=1S/C19H29N3O2S2/c1-13(2)7-9-22-16-11-14(18(20)23)5-6-17(16)26-12-15(19(22)24)21-8-4-10-25-3/h5-6,11,13,15,21H,4,7-10,12H2,1-3H3,(H2,20,23)/t15-/m0/s1