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

Systemtic Name: ethyl 2-[[(E)-4-azanyl-3-cyano-4-oxidanylidene-but-2-en-2-yl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-amino-2-cyano-1-methyl-3-oxo-prop-1-enyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-amino-2-cyano-3-keto-1-methyl-prop-1-enyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C18H16FN3O3S MolecularWeight: 373.401343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN3O3S/c1-3-25-18(24)15-14(11-4-6-12(19)7-5-11)9-26-17(15)22-10(2)13(8-20)16(21)23/h4-7,9,22H,3H2,1-2H3,(H2,21,23)/b13-10+