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

Systemtic Name: methyl 3-[2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C26H28N2O6S2 MolecularWeight: 528.64032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC1=CC=CC=C1N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C26H28N2O6S2/c1-5-34-24-9-7-6-8-23(24)28(36(31,32)21-14-12-20(35-4)13-15-21)17-25(29)27-22-16-19(26(30)33-3)11-10-18(22)2/h6-16H,5,17H2,1-4H3,(H,27,29)