dimethyl 2-(ethylcarbamothioylamino)benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-(ethylcarbamothioylamino)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-(ethylcarbamothioylamino)benzene-1,4-dicarboxylate CAS Name: 2-[[ethylamino(sulfanylidene)methyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(ethylcarbamothioylamino)benzene-1,4-dicarboxylate Traditional Name: 2-(ethylthiocarbamoylamino)benzene-1,4-dicarboxylic acid dimethyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC

Isomeric SMILES

CCNC(=S)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H16N2O4S/c1-4-14-13(20)15-10-7-8(11(16)18-2)5-6-9(10)12(17)19-3/h5-7H,4H2,1-3H3,(H2,14,15,20)