methyl 2-[[2-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[2-(5-cyano-2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[3-acetylsulfanyl-2-(5-cyanoindan-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[3-(acetylthio)-2-(5-cyano-2,3-dihydro-1H-inden-1-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[3-acetylsulfanyl-2-(5-cyano-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[3-(acetylthio)-2-(5-cyanoindan-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1CCC2=C1C=CC(=C2)C#N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC(=O)SCC(C1CCC2=C1C=CC(=C2)C#N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C27H27N3O4S/c1-16(31)35-15-23(22-10-8-18-11-17(13-28)7-9-20(18)22)26(32)30-25(27(33)34-2)12-19-14-29-24-6-4-3-5-21(19)24/h3-7,9,11,14,22-23,25,29H,8,10,12,15H2,1-2H3,(H,30,32)