[4-[(Z)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(Z)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(Z)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(Z)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(Z)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C(/C#N)\C(=O)NCC3=CC=CO3)OC

InChI

InChI=1S/C23H20N2O6S/c1-16-5-8-20(9-6-16)32(27,28)31-21-10-7-17(13-22(21)29-2)12-18(14-24)23(26)25-15-19-4-3-11-30-19/h3-13H,15H2,1-2H3,(H,25,26)/b18-12-