dimethyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(E)-3-(2-chlorophenyl)acryloyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H17ClN2O5S MolecularWeight: 432.87738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2Cl)C(=O)OC

InChI

InChI=1S/C20H17ClN2O5S/c1-27-18(25)13-9-14(19(26)28-2)11-15(10-13)22-20(29)23-17(24)8-7-12-5-3-4-6-16(12)21/h3-11H,1-2H3,(H2,22,23,24,29)/b8-7+