ethyl 3-[2-[(4-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]-2-methyl-benzoate

Systemtic Name: ethyl 3-[2-[(4-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[[2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]amino]-2-methyl-benzoate CAS Name: 3-[[2-(4-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzoate Traditional Name: 3-[[2-(4-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]amino]-2-methyl-benzoic acid ethyl ester Formula: C27H30N2O6S2 MolecularWeight: 542.6669

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC(=C2C)C(=O)OCC)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC(=C2C)C(=O)OCC)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C27H30N2O6S2/c1-5-34-21-12-10-20(11-13-21)29(37(32,33)23-16-14-22(36-4)15-17-23)18-26(30)28-25-9-7-8-24(19(25)3)27(31)35-6-2/h7-17H,5-6,18H2,1-4H3,(H,28,30)