[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl]sulfanylbenzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl]sulfanylbenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[(E)-4-amino-3-cyano-2-oxo-pent-3-enyl]sulfanylbenzoate CAS Name: 2-[[(E)-4-amino-3-cyano-2-oxopent-3-enyl]thio]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[(E)-4-amino-3-cyano-2-oxopent-3-enyl]sulfanylbenzoate Traditional Name: 2-[[(E)-4-amino-3-cyano-2-keto-pent-3-enyl]thio]benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)C(=C(C)N)C#N)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=CC=C1SCC(=O)/C(=C(\C)/N)/C#N)/N

InChI

InChI=1S/C19H18N4O4S/c1-11(22)14(7-20)16(24)9-27-19(26)13-5-3-4-6-18(13)28-10-17(25)15(8-21)12(2)23/h3-6H,9-10,22-23H2,1-2H3/b14-11+,15-12+