methyl 4-ethyl-2-[2-(4-fluorophenyl)ethylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-2-[2-(4-fluorophenyl)ethylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[2-(4-fluorophenyl)ethylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[[2-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[2-(4-fluorophenyl)ethylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[2-(4-fluorophenyl)ethylthiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H21FN2O2S2 MolecularWeight: 380.499943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CC=C(C=C2)F)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CC=C(C=C2)F)C

InChI

InChI=1S/C18H21FN2O2S2/c1-4-14-11(2)25-16(15(14)17(22)23-3)21-18(24)20-10-9-12-5-7-13(19)8-6-12/h5-8H,4,9-10H2,1-3H3,(H2,20,21,24)