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

Systemtic Name: (3R)-3-(2-chloroethylcarbamoylamino)-5-(3-methylbutyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Openeye Name: (3R)-3-(2-chloroethylcarbamoylamino)-5-isopentyl-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide CAS Name: (3R)-3-[[(2-chloroethylamino)-oxomethyl]amino]-5-(3-methylbutyl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide IUPAC Name: (3R)-3-(2-chloroethylcarbamoylamino)-5-(3-methylbutyl)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Traditional Name: (3R)-3-(2-chloroethylcarbamoylamino)-5-isoamyl-4-keto-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Formula: C18H25ClN4O3S MolecularWeight: 412.9341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O3S/c1-11(2)5-8-23-14-9-12(16(20)24)3-4-15(14)27-10-13(17(23)25)22-18(26)21-7-6-19/h3-4,9,11,13H,5-8,10H2,1-2H3,(H2,20,24)(H2,21,22,26)/t13-/m0/s1