[4-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-2-cyano-2-(4-methylthiazol-2-yl)vinyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-cyano-2-(4-methyl-2-thiazolyl)ethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-cyano-2-(4-methylthiazol-2-yl)vinyl]-2-methoxy-phenyl] ester Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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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=NC(=CS3)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C3=NC(=CS3)C)OC

InChI

InChI=1S/C21H18N2O4S2/c1-14-4-7-18(8-5-14)29(24,25)27-19-9-6-16(11-20(19)26-3)10-17(12-22)21-23-15(2)13-28-21/h4-11,13H,1-3H3/b17-10+