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

Systemtic Name: ethyl 2-[[(E)-4-azanyl-3-cyano-4-oxidanylidene-but-2-en-2-yl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-amino-2-cyano-1-methyl-3-oxo-prop-1-enyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-amino-2-cyano-3-keto-1-methyl-prop-1-enyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-3-24-18(23)13-9-15(12-7-5-4-6-8-12)25-17(13)21-11(2)14(10-19)16(20)22/h4-9,21H,3H2,1-2H3,(H2,20,22)/b14-11+