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

Systemtic Name: methyl 2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl 2-[[3-acetylsulfanyl-2-(5-bromoindan-1-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[[3-(acetylthio)-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[3-acetylsulfanyl-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-[[3-(acetylthio)-2-(5-bromoindan-1-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1CCC2=C1C=CC(=C2)Br)C(=O)NC(CC3=CN=CN3)C(=O)OC

Isomeric SMILES

CC(=O)SCC(C1CCC2=C1C=CC(=C2)Br)C(=O)NC(CC3=CN=CN3)C(=O)OC

InChI

InChI=1S/C21H24BrN3O4S/c1-12(26)30-10-18(17-5-3-13-7-14(22)4-6-16(13)17)20(27)25-19(21(28)29-2)8-15-9-23-11-24-15/h4,6-7,9,11,17-19H,3,5,8,10H2,1-2H3,(H,23,24)(H,25,27)