[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 5-oxidanylidene-5-(1,3-thiazol-2-ylamino)pentanoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 5-oxidanylidene-5-(1,3-thiazol-2-ylamino)pentanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 5-oxo-5-(thiazol-2-ylamino)pentanoate CAS Name: 5-oxo-5-(2-thiazolylamino)pentanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 5-oxo-5-(1,3-thiazol-2-ylamino)pentanoate Traditional Name: 5-keto-5-(thiazol-2-ylamino)valeric acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C23H22N2O7S2 MolecularWeight: 502.55998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCCC(=O)NC3=NC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCCC(=O)NC3=NC=CS3

InChI

InChI=1S/C23H22N2O7S2/c1-16-5-11-19(12-6-16)34(29,30)32-18-9-7-17(8-10-18)20(26)15-31-22(28)4-2-3-21(27)25-23-24-13-14-33-23/h5-14H,2-4,15H2,1H3,(H,24,25,27)