dimethyl 5-[(3-chloranyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(3-chloranyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-chloro-4-ethoxy-benzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(3-chloro-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-chloro-4-ethoxybenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H19ClN2O6S MolecularWeight: 450.89266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Cl

InChI

InChI=1S/C20H19ClN2O6S/c1-4-29-16-6-5-11(10-15(16)21)17(24)23-20(30)22-14-8-12(18(25)27-2)7-13(9-14)19(26)28-3/h5-10H,4H2,1-3H3,(H2,22,23,24,30)