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

Systemtic Name: methyl 2-[[3-ethanoylsulfanyl-2-(5-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[3-acetylsulfanyl-2-(5-ethoxyindan-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[3-(acetylthio)-2-(5-ethoxy-2,3-dihydro-1H-inden-1-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[3-acetylsulfanyl-2-(5-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[3-(acetylthio)-2-(5-ethoxyindan-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C28H32N2O5S MolecularWeight: 508.62908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(CC2)C(CSC(=O)C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(CC2)C(CSC(=O)C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C28H32N2O5S/c1-4-35-20-10-12-21-18(13-20)9-11-23(21)24(16-36-17(2)31)27(32)30-26(28(33)34-3)14-19-15-29-25-8-6-5-7-22(19)25/h5-8,10,12-13,15,23-24,26,29H,4,9,11,14,16H2,1-3H3,(H,30,32)