dimethyl 5-[(2-ethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2-ethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-ethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2-ethoxyanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-ethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-(o-phenetylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H20N2O5S/c1-4-26-16-8-6-5-7-15(16)21-19(27)20-14-10-12(17(22)24-2)9-13(11-14)18(23)25-3/h5-11H,4H2,1-3H3,(H2,20,21,27)