[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] naphthalene-2-sulfonate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] naphthalene-2-sulfonate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C27H22N2O6S MolecularWeight: 502.53838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H22N2O6S/c1-2-33-26-15-19(14-22(17-28)27(30)29-18-23-8-5-13-34-23)9-12-25(26)35-36(31,32)24-11-10-20-6-3-4-7-21(20)16-24/h3-16H,2,18H2,1H3,(H,29,30)/b22-14+