[4-[(Z)-2-cyano-2-pyridin-2-yl-ethenyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(Z)-2-cyano-2-pyridin-2-yl-ethenyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(Z)-2-cyano-2-(2-pyridyl)vinyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(Z)-2-cyano-2-(2-pyridinyl)ethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(Z)-2-cyano-2-(2-pyridyl)vinyl]-2-methoxy-phenyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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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)C3=CC=CC=N3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C3=CC=CC=N3)OC

InChI

InChI=1S/C22H18N2O4S/c1-16-6-9-19(10-7-16)29(25,26)28-21-11-8-17(14-22(21)27-2)13-18(15-23)20-5-3-4-12-24-20/h3-14H,1-2H3/b18-13+