methyl 4-ethyl-2-[(2-fluoranyl-5-nitro-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-2-[(2-fluoranyl-5-nitro-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[(2-fluoro-5-nitro-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[(2-fluoro-5-nitrophenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[(2-fluoro-5-nitro-phenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H16FN3O4S2 MolecularWeight: 397.444343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F)C

InChI

InChI=1S/C16H16FN3O4S2/c1-4-10-8(2)26-14(13(10)15(21)24-3)19-16(25)18-12-7-9(20(22)23)5-6-11(12)17/h5-7H,4H2,1-3H3,(H2,18,19,25)