dimethyl 5-(prop-2-enylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(prop-2-enylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(allylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(prop-2-enylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(allylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NCC=C)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NCC=C)C(=O)OC

InChI

InChI=1S/C14H16N2O4S/c1-4-5-15-14(21)16-11-7-9(12(17)19-2)6-10(8-11)13(18)20-3/h4,6-8H,1,5H2,2-3H3,(H2,15,16,21)