diethyl 2-(prop-2-enylcarbamothioylamino)benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2-(prop-2-enylcarbamothioylamino)benzene-1,4-dicarboxylate Openeye Name: diethyl 2-(allylcarbamothioylamino)benzene-1,4-dicarboxylate CAS Name: 2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(prop-2-enylcarbamothioylamino)benzene-1,4-dicarboxylate Traditional Name: 2-(allylthiocarbamoylamino)benzene-1,4-dicarboxylic acid diethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NCC=C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NCC=C

InChI

InChI=1S/C16H20N2O4S/c1-4-9-17-16(23)18-13-10-11(14(19)21-5-2)7-8-12(13)15(20)22-6-3/h4,7-8,10H,1,5-6,9H2,2-3H3,(H2,17,18,23)