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

Systemtic Name: dimethyl 5-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-chloro-4-fluorophenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H14ClFN2O4S2 MolecularWeight: 416.874763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)OC

InChI

InChI=1S/C16H14ClFN2O4S2/c1-7-11(14(21)23-2)13(26-12(7)15(22)24-3)20-16(25)19-8-4-5-10(18)9(17)6-8/h4-6H,1-3H3,(H2,19,20,25)