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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(allylcarbamothioylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(allylthiocarbamoylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H19N3O3S2 MolecularWeight: 341.44896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S2/c1-6-7-15-14(21)16-11-9(13(19)20-5)8(2)10(22-11)12(18)17(3)4/h6H,1,7H2,2-5H3,(H2,15,16,21)