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

Systemtic Name: (3R)-3-(3-methoxypropanoylamino)-5-(3-methylbutyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Openeye Name: (3R)-5-isopentyl-3-(3-methoxypropanoylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide CAS Name: (3R)-3-[(3-methoxy-1-oxopropyl)amino]-5-(3-methylbutyl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide IUPAC Name: (3R)-3-(3-methoxypropanoylamino)-5-(3-methylbutyl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Traditional Name: (3R)-5-isoamyl-4-keto-3-(3-methoxypropanoylamino)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)C(=O)N)SCC(C1=O)NC(=O)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4S/c1-12(2)6-8-22-15-10-13(18(20)24)4-5-16(15)27-11-14(19(22)25)21-17(23)7-9-26-3/h4-5,10,12,14H,6-9,11H2,1-3H3,(H2,20,24)(H,21,23)/t14-/m0/s1