diethyl 5-[(4-fluoranyl-3-nitro-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(4-fluoranyl-3-nitro-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-fluoro-3-nitro-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-fluoro-3-nitroanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-fluoro-3-nitrophenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-fluoro-3-nitro-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H18FN3O6S2 MolecularWeight: 455.480423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18FN3O6S2/c1-4-27-16(23)13-9(3)14(17(24)28-5-2)30-15(13)21-18(29)20-10-6-7-11(19)12(8-10)22(25)26/h6-8H,4-5H2,1-3H3,(H2,20,21,29)