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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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