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

Systemtic Name: diethyl 5-[(2-fluoranyl-5-methyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(2-fluoro-5-methyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2-fluoro-5-methylanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-fluoro-5-methylphenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2-fluoro-5-methyl-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H21FN2O4S2 MolecularWeight: 424.509443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(C=CC(=C2)C)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(C=CC(=C2)C)F

InChI

InChI=1S/C19H21FN2O4S2/c1-5-25-17(23)14-11(4)15(18(24)26-6-2)28-16(14)22-19(27)21-13-9-10(3)7-8-12(13)20/h7-9H,5-6H2,1-4H3,(H2,21,22,27)