(3R)-5-[(1-ethanoylindol-3-yl)methyl]-3-(3-methylsulfanylpropylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxamide

Systemtic Name: (3R)-5-[(1-ethanoylindol-3-yl)methyl]-3-(3-methylsulfanylpropylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Openeye Name: (3R)-5-[(1-acetylindol-3-yl)methyl]-3-(3-methylsulfanylpropylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide CAS Name: (3R)-5-[(1-acetyl-3-indolyl)methyl]-3-[3-(methylthio)propylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide IUPAC Name: (3R)-5-[(1-acetylindol-3-yl)methyl]-3-(3-methylsulfanylpropylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Traditional Name: (3R)-5-[(1-acetylindol-3-yl)methyl]-4-keto-3-[3-(methylthio)propylamino]-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Formula: C25H28N4O3S2 MolecularWeight: 496.64482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)CN3C4=C(C=CC(=C4)C(=O)N)SCC(C3=O)NCCCSC

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)CN3C4=C(C=CC(=C4)C(=O)N)SC[C@@H](C3=O)NCCCSC

InChI

InChI=1S/C25H28N4O3S2/c1-16(30)28-13-18(19-6-3-4-7-21(19)28)14-29-22-12-17(24(26)31)8-9-23(22)34-15-20(25(29)32)27-10-5-11-33-2/h3-4,6-9,12-13,20,27H,5,10-11,14-15H2,1-2H3,(H2,26,31)/t20-/m0/s1