[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C21H20N2O6S/c1-13-4-5-14(2)20(10-13)30(26,27)29-17-8-6-16(7-9-17)21(25)28-12-19(24)18(11-22)15(3)23/h4-10H,12,23H2,1-3H3/b18-15+