2-(3-methyl-2-oxidanylidene-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(3-methyl-2-oxidanylidene-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(3-methyl-2-oxo-oxazolo[4,5-b]pyridin-6-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(3-methyl-2-oxo-6-oxazolo[4,5-b]pyridinyl)ethyl ester IUPAC Name: 2-(3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(2-keto-3-methyl-oxazolo[4,5-b]pyridin-6-yl)ethyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC3=C(N=C2)N(C(=O)O3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC3=C(N=C2)N(C(=O)O3)C

InChI

InChI=1S/C16H16N2O5S/c1-11-3-5-13(6-4-11)24(20,21)22-8-7-12-9-14-15(17-10-12)18(2)16(19)23-14/h3-6,9-10H,7-8H2,1-2H3