[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5S/c1-12-4-5-13(2)18(8-12)27(23,24)26-16-7-6-14(10-17(16)25-3)9-15(11-20)19(21)22/h4-10H,1-3H3,(H2,21,22)/b15-9+