[4-[(2Z)-2-(4-methylphenyl)sulfonylimino-3-prop-2-enyl-1,3-thiazol-4-yl]phenyl] benzoate

Systemtic Name: [4-[(2Z)-2-(4-methylphenyl)sulfonylimino-3-prop-2-enyl-1,3-thiazol-4-yl]phenyl] benzoate Openeye Name: [4-[(2Z)-3-allyl-2-(p-tolylsulfonylimino)thiazol-4-yl]phenyl] benzoate CAS Name: benzoic acid [4-[(2Z)-2-(4-methylphenyl)sulfonylimino-3-prop-2-enyl-4-thiazolyl]phenyl] ester IUPAC Name: [4-[(2Z)-2-(4-methylphenyl)sulfonylimino-3-prop-2-enyl-1,3-thiazol-4-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[(2Z)-3-allyl-2-tosylimino-4-thiazolin-4-yl]phenyl] ester Formula: C26H22N2O4S2 MolecularWeight: 490.59388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2N(C(=CS2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/N(C(=CS2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)CC=C

InChI

InChI=1S/C26H22N2O4S2/c1-3-17-28-24(18-33-26(28)27-34(30,31)23-15-9-19(2)10-16-23)20-11-13-22(14-12-20)32-25(29)21-7-5-4-6-8-21/h3-16,18H,1,17H2,2H3/b27-26-