methyl 5-phenyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(allylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(allylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C16H16N2O2S2 MolecularWeight: 332.44044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC=C

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC=C

InChI

InChI=1S/C16H16N2O2S2/c1-3-9-17-16(21)18-14-12(15(19)20-2)10-13(22-14)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H2,17,18,21)