[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]butanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(3,4,5-trimethoxybenzoyl)amino]butyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C(CCSC)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C(CCSC)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC)/N

InChI

InChI=1S/C21H27N3O7S/c1-12(23)14(10-22)16(25)11-31-21(27)15(6-7-32-5)24-20(26)13-8-17(28-2)19(30-4)18(9-13)29-3/h8-9,15H,6-7,11,23H2,1-5H3,(H,24,26)/b14-12+