dimethyl 2-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(5-chloro-2-methoxy-phenyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(5-chloro-2-methoxy-phenyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H17ClN2O5S/c1-24-15-7-5-11(19)9-14(15)21-18(27)20-13-8-10(16(22)25-2)4-6-12(13)17(23)26-3/h4-9H,1-3H3,(H2,20,21,27)