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

Systemtic Name: methyl 2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]-3-(2H-indazol-3-yl)propanoate Openeye Name: methyl 2-[[3-acetylsulfanyl-2-(5-bromoindan-1-yl)propanoyl]amino]-3-(2H-indazol-3-yl)propanoate CAS Name: 2-[[3-(acetylthio)-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-oxopropyl]amino]-3-(2H-indazol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[3-acetylsulfanyl-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-(2H-indazol-3-yl)propanoate Traditional Name: 2-[[3-(acetylthio)-2-(5-bromoindan-1-yl)propanoyl]amino]-3-(2H-indazol-3-yl)propionic acid methyl ester Formula: C25H26BrN3O4S MolecularWeight: 544.46064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1CCC2=C1C=CC(=C2)Br)C(=O)NC(CC3=C4C=CC=CC4=NN3)C(=O)OC

Isomeric SMILES

CC(=O)SCC(C1CCC2=C1C=CC(=C2)Br)C(=O)NC(CC3=C4C=CC=CC4=NN3)C(=O)OC

InChI

InChI=1S/C25H26BrN3O4S/c1-14(30)34-13-20(18-9-7-15-11-16(26)8-10-17(15)18)24(31)27-23(25(32)33-2)12-22-19-5-3-4-6-21(19)28-29-22/h3-6,8,10-11,18,20,23H,7,9,12-13H2,1-2H3,(H,27,31)(H,28,29)