ethyl 4-(4-fluorophenyl)-2-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-[(4-methoxy-3-nitro-benzoyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[(4-methoxy-3-nitro-benzoyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H18FN3O6S2 MolecularWeight: 503.523223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H18FN3O6S2/c1-3-32-21(28)18-15(12-4-7-14(23)8-5-12)11-34-20(18)25-22(33)24-19(27)13-6-9-17(31-2)16(10-13)26(29)30/h4-11H,3H2,1-2H3,(H2,24,25,27,33)