diethyl 5-azanyl-3-[[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[2-(2-fluoroanilino)-2-oxo-ethyl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[2-(2-fluoroanilino)-2-oxoethyl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[2-(2-fluoroanilino)-2-oxoethyl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[2-(2-fluoroanilino)-2-keto-ethyl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H21FN2O5S2 MolecularWeight: 440.508843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSCC(=O)NC2=CC=CC=C2F)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSCC(=O)NC2=CC=CC=C2F)C(=O)OCC)N

InChI

InChI=1S/C19H21FN2O5S2/c1-3-26-18(24)15-11(16(29-17(15)21)19(25)27-4-2)9-28-10-14(23)22-13-8-6-5-7-12(13)20/h5-8H,3-4,9-10,21H2,1-2H3,(H,22,23)