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

Systemtic Name: [2-methoxy-4-[(E)-3-[2-(2-methylpropanoylamino)ethylamino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-3-[2-(2-methylpropanoylamino)ethylamino]-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-3-[2-[(2-methyl-1-oxopropyl)amino]ethylamino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-[2-(2-methylpropanoylamino)ethylamino]-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-[2-(isobutyrylamino)ethylamino]-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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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)NCCNC(=O)C(C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)NCCNC(=O)C(C)C)OC

InChI

InChI=1S/C23H28N2O6S/c1-16(2)23(27)25-14-13-24-22(26)12-8-18-7-11-20(21(15-18)30-4)31-32(28,29)19-9-5-17(3)6-10-19/h5-12,15-16H,13-14H2,1-4H3,(H,24,26)(H,25,27)/b12-8+