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

Systemtic Name: methyl 5-ethyl-2-[(4-fluoranyl-2-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(4-fluoro-2-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(4-fluoro-2-nitroanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(4-fluoro-2-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(4-fluoro-2-nitro-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C15H14FN3O4S2 MolecularWeight: 383.417763

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H14FN3O4S2/c1-3-9-7-10(14(20)23-2)13(25-9)18-15(24)17-11-5-4-8(16)6-12(11)19(21)22/h4-7H,3H2,1-2H3,(H2,17,18,24)