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

Systemtic Name: [2-methoxy-4-[(E)-3-oxidanylidene-3-(1-thiophen-2-ylethylamino)prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-3-oxo-3-[1-(2-thienyl)ethylamino]prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-3-oxo-3-(1-thiophen-2-ylethylamino)prop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-oxo-3-(1-thiophen-2-ylethylamino)prop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-keto-3-[1-(2-thienyl)ethylamino]prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H23NO5S2 MolecularWeight: 457.56242

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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=CS3)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=CS3)OC

InChI

InChI=1S/C23H23NO5S2/c1-16-6-10-19(11-7-16)31(26,27)29-20-12-8-18(15-21(20)28-3)9-13-23(25)24-17(2)22-5-4-14-30-22/h4-15,17H,1-3H3,(H,24,25)/b13-9+