[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CSC(=N1)NCC2=CC=CC=C2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CSC(=N1)NCC2=CC=CC=C2)/N

InChI

InChI=1S/C17H16N4O3S/c1-11(19)13(7-18)15(22)9-24-16(23)14-10-25-17(21-14)20-8-12-5-3-2-4-6-12/h2-6,10H,8-9,19H2,1H3,(H,20,21)/b13-11+