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

Systemtic Name: ethyl 2-[(2-fluoranyl-5-methyl-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-fluoro-5-methyl-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-fluoro-5-methylanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-fluoro-5-methylphenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-fluoro-5-methyl-phenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21FN2O2S2 MolecularWeight: 428.542743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(C=CC(=C3)C)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(C=CC(=C3)C)F

InChI

InChI=1S/C22H21FN2O2S2/c1-4-27-21(26)19-18(15-8-6-5-7-9-15)14(3)29-20(19)25-22(28)24-17-12-13(2)10-11-16(17)23/h5-12H,4H2,1-3H3,(H2,24,25,28)