diethyl 5-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[[2-(3-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[[2-keto-2-(m-toluidino)ethyl]thio]acetyl]amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSCC(=O)NC2=CC=CC(=C2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSCC(=O)NC2=CC=CC(=C2)C)C(=O)OCC

InChI

InChI=1S/C23H26N2O6S/c1-4-30-22(28)16-10-17(23(29)31-5-2)12-19(11-16)25-21(27)14-32-13-20(26)24-18-8-6-7-15(3)9-18/h6-12H,4-5,13-14H2,1-3H3,(H,24,26)(H,25,27)