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

Systemtic Name: [4-[(2E)-2-(4-ethylphenyl)sulfonylimino-3-prop-2-enyl-1,3-thiazol-4-yl]phenyl] benzoate Openeye Name: [4-[(2E)-3-allyl-2-(4-ethylphenyl)sulfonylimino-thiazol-4-yl]phenyl] benzoate CAS Name: benzoic acid [4-[(2E)-2-(4-ethylphenyl)sulfonylimino-3-prop-2-enyl-4-thiazolyl]phenyl] ester IUPAC Name: [4-[(2E)-2-(4-ethylphenyl)sulfonylimino-3-prop-2-enyl-1,3-thiazol-4-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[(2E)-3-allyl-2-(4-ethylphenyl)sulfonylimino-4-thiazolin-4-yl]phenyl] ester Formula: C27H24N2O4S2 MolecularWeight: 504.62046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C27H24N2O4S2/c1-3-18-29-25(19-34-27(29)28-35(31,32)24-16-10-20(4-2)11-17-24)21-12-14-23(15-13-21)33-26(30)22-8-6-5-7-9-22/h3,5-17,19H,1,4,18H2,2H3/b28-27+