ethyl 2-[[2-[(2-ethanoylsulfanyl-3-methyl-butanoyl)amino]-1,3-dihydroinden-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: ethyl 2-[[2-[(2-ethanoylsulfanyl-3-methyl-butanoyl)amino]-1,3-dihydroinden-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: ethyl 2-[[2-[(2-acetylsulfanyl-3-methyl-butanoyl)amino]indane-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[[2-[[2-(acetylthio)-3-methyl-1-oxobutyl]amino]-1,3-dihydroinden-2-yl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2-acetylsulfanyl-3-methylbutanoyl)amino]-1,3-dihydroindene-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[[2-[[2-(acetylthio)-3-methyl-butanoyl]amino]indane-2-carbonyl]amino]-3-(4-hydroxyphenyl)propionic acid ethyl ester Formula: C28H34N2O6S MolecularWeight: 526.64436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2(CC3=CC=CC=C3C2)NC(=O)C(C(C)C)SC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2(CC3=CC=CC=C3C2)NC(=O)C(C(C)C)SC(=O)C

InChI

InChI=1S/C28H34N2O6S/c1-5-36-26(34)23(14-19-10-12-22(32)13-11-19)29-27(35)28(15-20-8-6-7-9-21(20)16-28)30-25(33)24(17(2)3)37-18(4)31/h6-13,17,23-24,32H,5,14-16H2,1-4H3,(H,29,35)(H,30,33)