3-[5-[(4-methoxycarbonylphenyl)carbonylamino]-2-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]-4-oxidanyl-phenoxy]prop-1-en-1-olate

Systemtic Name: 3-[5-[(4-methoxycarbonylphenyl)carbonylamino]-2-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]-4-oxidanyl-phenoxy]prop-1-en-1-olate Openeye Name: 3-[4-hydroxy-5-[(4-methoxycarbonylbenzoyl)amino]-2-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]phenoxy]prop-1-en-1-olate CAS Name: 3-[4-hydroxy-5-[[(4-methoxycarbonylphenyl)-oxomethyl]amino]-2-[[2-[4-(methylthio)phenyl]sulfonyl-1-oxobutyl]amino]phenoxy]-1-propen-1-olate IUPAC Name: 3-[4-hydroxy-5-[(4-methoxycarbonylbenzoyl)amino]-2-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]phenoxy]prop-1-en-1-olate Traditional Name: 3-[5-[(4-carbomethoxybenzoyl)amino]-4-hydroxy-2-[2-[4-(methylthio)phenyl]sulfonylbutanoylamino]phenoxy]prop-1-en-1-olate Formula: C29H28N2O9S2 MolecularWeight: 612.67062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C(=C1)O)NC(=O)C2=CC=C(C=C2)C(=O)OC)OC[C+]=C[O-])S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C(=C1)O)NC(=O)C2=CC=C(C=C2)C(=O)OC)OC[C+]=C[O-])S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C29H28N2O9S2/c1-4-26(42(37,38)21-12-10-20(41-3)11-13-21)28(35)31-23-16-24(33)22(17-25(23)40-15-5-14-32)30-27(34)18-6-8-19(9-7-18)29(36)39-2/h6-14,16-17,26H,4,15H2,1-3H3,(H3-,30,31,32,33,34,35,36)