O4-ethyl O2-methyl 5-[(3-fluorophenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 5-[(3-fluorophenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 5-[(3-fluorobenzoyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[(3-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 5-[(3-fluorobenzoyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3-fluorobenzoyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C18H17FN2O5S2 MolecularWeight: 424.466383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN2O5S2/c1-4-26-16(23)12-9(2)13(17(24)25-3)28-15(12)21-18(27)20-14(22)10-6-5-7-11(19)8-10/h5-8H,4H2,1-3H3,(H2,20,21,22,27)