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

Systemtic Name: methyl 2-[(4-fluoranyl-2-nitro-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-fluoro-2-nitro-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-fluoro-2-nitroanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-fluoro-2-nitrophenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-fluoro-2-nitro-phenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H16FN3O4S2 MolecularWeight: 445.487143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H16FN3O4S2/c1-11-16(12-6-4-3-5-7-12)17(19(25)28-2)18(30-11)23-20(29)22-14-9-8-13(21)10-15(14)24(26)27/h3-10H,1-2H3,(H2,22,23,29)