methyl 4,5-dimethyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(allylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(allylthiocarbamoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C12H16N2O2S2 MolecularWeight: 284.39764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC=C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC=C)C

InChI

InChI=1S/C12H16N2O2S2/c1-5-6-13-12(17)14-10-9(11(15)16-4)7(2)8(3)18-10/h5H,1,6H2,2-4H3,(H2,13,14,17)