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

Systemtic Name: ethyl 2-[[(E)-4-azanyl-3-cyano-4-oxidanylidene-but-2-en-2-yl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-amino-2-cyano-1-methyl-3-oxo-prop-1-enyl]amino]-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-amino-2-cyano-3-keto-1-methyl-prop-1-enyl]amino]-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=C(C#N)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)N/C(=C(\C#N)/C(=O)N)/C

InChI

InChI=1S/C16H21N3O3S/c1-5-22-16(21)13-11(6-9(2)3)8-23-15(13)19-10(4)12(7-17)14(18)20/h8-9,19H,5-6H2,1-4H3,(H2,18,20)/b12-10+