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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-2-sulfonate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C25H18N2O5S MolecularWeight: 458.48582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=C(C=C3)C=C(C#N)C(=O)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=C(C=C3)/C=C(\C#N)/C(=O)NCC4=CC=CO4

InChI

InChI=1S/C25H18N2O5S/c26-16-21(25(28)27-17-23-6-3-13-31-23)14-18-7-10-22(11-8-18)32-33(29,30)24-12-9-19-4-1-2-5-20(19)15-24/h1-15H,17H2,(H,27,28)/b21-14+