[2-methoxy-4-[(E)-3-[1-(2-methylphenyl)ethylamino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-3-[1-(2-methylphenyl)ethylamino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-3-[1-(o-tolyl)ethylamino]-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-3-[1-(2-methylphenyl)ethylamino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-[1-(2-methylphenyl)ethylamino]-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-keto-3-[1-(o-tolyl)ethylamino]prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H27NO5S MolecularWeight: 465.56128

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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=CC(=O)NC(C)C3=CC=CC=C3C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)NC(C)C3=CC=CC=C3C)OC

InChI

InChI=1S/C26H27NO5S/c1-18-9-13-22(14-10-18)33(29,30)32-24-15-11-21(17-25(24)31-4)12-16-26(28)27-20(3)23-8-6-5-7-19(23)2/h5-17,20H,1-4H3,(H,27,28)/b16-12+