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

Systemtic Name: methyl 3-(1-benzothiophen-3-yl)-2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]propanoate Openeye Name: methyl 2-[[3-acetylsulfanyl-2-(5-bromoindan-1-yl)propanoyl]amino]-3-(benzothiophen-3-yl)propanoate CAS Name: 2-[[3-(acetylthio)-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-oxopropyl]amino]-3-(1-benzothiophen-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-(1-benzothiophen-3-yl)propanoate Traditional Name: 2-[[3-(acetylthio)-2-(5-bromoindan-1-yl)propanoyl]amino]-3-(benzothiophen-3-yl)propionic acid methyl ester Formula: C26H26BrNO4S2 MolecularWeight: 560.52294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1CCC2=C1C=CC(=C2)Br)C(=O)NC(CC3=CSC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC(=O)SCC(C1CCC2=C1C=CC(=C2)Br)C(=O)NC(CC3=CSC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C26H26BrNO4S2/c1-15(29)33-14-22(21-9-7-16-11-18(27)8-10-19(16)21)25(30)28-23(26(31)32-2)12-17-13-34-24-6-4-3-5-20(17)24/h3-6,8,10-11,13,21-23H,7,9,12,14H2,1-2H3,(H,28,30)