methyl 4-ethyl-2-[[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-2-[[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[[[1-[(2-fluorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[1-(2-fluorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H21FN4O2S2 MolecularWeight: 432.534743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3F)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3F)C

InChI

InChI=1S/C20H21FN4O2S2/c1-4-14-12(2)29-18(17(14)19(26)27-3)23-20(28)22-16-9-10-25(24-16)11-13-7-5-6-8-15(13)21/h5-10H,4,11H2,1-3H3,(H2,22,23,24,28)