ethyl 2-[[(E)-4-azanyl-3-cyano-4-oxidanylidene-but-2-en-2-yl]amino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-4-azanyl-3-cyano-4-oxidanylidene-but-2-en-2-yl]amino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-amino-2-cyano-1-methyl-3-oxo-prop-1-enyl]amino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-amino-2-cyano-3-keto-1-methyl-prop-1-enyl]amino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H18FN3O3S MolecularWeight: 387.427923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)NC(=C(C#N)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)N/C(=C(\C#N)/C(=O)N)/C

InChI

InChI=1S/C19H18FN3O3S/c1-4-26-19(25)16-15(12-5-7-13(20)8-6-12)11(3)27-18(16)23-10(2)14(9-21)17(22)24/h5-8,23H,4H2,1-3H3,(H2,22,24)/b14-10+