methyl 3-acridin-9-yl-2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]propanoate

Systemtic Name: methyl 3-acridin-9-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-acridin-9-yl-propanoate CAS Name: 2-[[3-(acetylthio)-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-oxopropyl]amino]-3-(9-acridinyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[3-acetylsulfanyl-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-acridin-9-ylpropanoate Traditional Name: 2-[[3-(acetylthio)-2-(5-bromoindan-1-yl)propanoyl]amino]-3-acridin-9-yl-propionic acid methyl ester Formula: C31H29BrN2O4S MolecularWeight: 605.54196

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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=NC5=CC=CC=C53)C(=O)OC

Isomeric SMILES

CC(=O)SCC(C1CCC2=C1C=CC(=C2)Br)C(=O)NC(CC3=C4C=CC=CC4=NC5=CC=CC=C53)C(=O)OC

InChI

InChI=1S/C31H29BrN2O4S/c1-18(35)39-17-26(22-13-11-19-15-20(32)12-14-21(19)22)30(36)34-29(31(37)38-2)16-25-23-7-3-5-9-27(23)33-28-10-6-4-8-24(25)28/h3-10,12,14-15,22,26,29H,11,13,16-17H2,1-2H3,(H,34,36)