dimethyl 5-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-carbethoxyphenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H20N2O6S/c1-4-28-19(25)12-5-7-15(8-6-12)21-20(29)22-16-10-13(17(23)26-2)9-14(11-16)18(24)27-3/h5-11H,4H2,1-3H3,(H2,21,22,29)