[4-[(E)-2-acetamido-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-2-acetamido-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-2-acetamido-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-acetamido-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-acetamido-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-acetamido-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)NCC3=CC=CO3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C(=O)NCC3=CC=CO3)/NC(=O)C

InChI

InChI=1S/C23H22N2O6S/c1-16-5-11-21(12-6-16)32(28,29)31-19-9-7-18(8-10-19)14-22(25-17(2)26)23(27)24-15-20-4-3-13-30-20/h3-14H,15H2,1-2H3,(H,24,27)(H,25,26)/b22-14+