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

Systemtic Name: methyl 2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]-3-pyridin-3-yl-propanoate Openeye Name: methyl 2-[[3-acetylsulfanyl-2-(5-bromoindan-1-yl)propanoyl]amino]-3-(3-pyridyl)propanoate CAS Name: 2-[[3-(acetylthio)-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-oxopropyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[3-acetylsulfanyl-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 2-[[3-(acetylthio)-2-(5-bromoindan-1-yl)propanoyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C23H25BrN2O4S MolecularWeight: 505.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1CCC2=C1C=CC(=C2)Br)C(=O)NC(CC3=CN=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)SCC(C1CCC2=C1C=CC(=C2)Br)C(=O)NC(CC3=CN=CC=C3)C(=O)OC

InChI

InChI=1S/C23H25BrN2O4S/c1-14(27)31-13-20(19-7-5-16-11-17(24)6-8-18(16)19)22(28)26-21(23(29)30-2)10-15-4-3-9-25-12-15/h3-4,6,8-9,11-12,19-21H,5,7,10,13H2,1-2H3,(H,26,28)