methyl 2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]-3-(7-methoxy-1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]-3-(7-methoxy-1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[3-acetylsulfanyl-2-(5-bromoindan-1-yl)propanoyl]amino]-3-(7-methoxy-1H-indol-3-yl)propanoate CAS Name: 2-[[3-(acetylthio)-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-oxopropyl]amino]-3-(7-methoxy-1H-indol-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-(7-methoxy-1H-indol-3-yl)propanoate Traditional Name: 2-[[3-(acetylthio)-2-(5-bromoindan-1-yl)propanoyl]amino]-3-(7-methoxy-1H-indol-3-yl)propionic acid methyl ester Formula: C27H29BrN2O5S MolecularWeight: 573.49856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1CCC2=C1C=CC(=C2)Br)C(=O)NC(CC3=CNC4=C3C=CC=C4OC)C(=O)OC

Isomeric SMILES

CC(=O)SCC(C1CCC2=C1C=CC(=C2)Br)C(=O)NC(CC3=CNC4=C3C=CC=C4OC)C(=O)OC

InChI

InChI=1S/C27H29BrN2O5S/c1-15(31)36-14-22(21-9-7-16-11-18(28)8-10-19(16)21)26(32)30-23(27(33)35-3)12-17-13-29-25-20(17)5-4-6-24(25)34-2/h4-6,8,10-11,13,21-23,29H,7,9,12,14H2,1-3H3,(H,30,32)