dimethyl 5-[(4-fluorophenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[(4-fluorophenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(4-fluorophenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-fluorophenyl)methylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-fluorobenzyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H17FN2O4S2 MolecularWeight: 396.456283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C17H17FN2O4S2/c1-9-12(15(21)23-2)14(26-13(9)16(22)24-3)20-17(25)19-8-10-4-6-11(18)7-5-10/h4-7H,8H2,1-3H3,(H2,19,20,25)