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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NCC=C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NCC=C)C

InChI

InChI=1S/C12H16N2O2S2/c1-4-6-13-12(17)14-9-7-8(3)10(18-9)11(15)16-5-2/h4,7H,1,5-6H2,2-3H3,(H2,13,14,17)