methyl 4-cyano-5-[(2-fluorophenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-5-[(2-fluorophenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[(2-fluorobenzoyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[[(2-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[(2-fluorobenzoyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(2-fluorobenzoyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C16H12FN3O3S2 MolecularWeight: 377.413183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC=CC=C2F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC=CC=C2F)C(=O)OC

InChI

InChI=1S/C16H12FN3O3S2/c1-8-10(7-18)14(25-12(8)15(22)23-2)20-16(24)19-13(21)9-5-3-4-6-11(9)17/h3-6H,1-2H3,(H2,19,20,21,24)