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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclooctylamino)-2-oxoethyl]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-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C23H29N3O4S MolecularWeight: 443.55906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2CCCCCCC2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2CCCCCCC2)/N

InChI

InChI=1S/C23H29N3O4S/c1-16(25)19(13-24)20(27)14-30-23(29)18-11-7-8-12-21(18)31-15-22(28)26-17-9-5-3-2-4-6-10-17/h7-8,11-12,17H,2-6,9-10,14-15,25H2,1H3,(H,26,28)/b19-16+