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

Systemtic Name: 3-(3-methyl-2-oxidanylidene-[1,3]oxazolo[4,5-b]pyridin-6-yl)propyl 4-methylbenzenesulfonate Openeye Name: 3-(3-methyl-2-oxo-oxazolo[4,5-b]pyridin-6-yl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(3-methyl-2-oxo-6-oxazolo[4,5-b]pyridinyl)propyl ester IUPAC Name: 3-(3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(2-keto-3-methyl-oxazolo[4,5-b]pyridin-6-yl)propyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC3=C(N=C2)N(C(=O)O3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC3=C(N=C2)N(C(=O)O3)C

InChI

InChI=1S/C17H18N2O5S/c1-12-5-7-14(8-6-12)25(21,22)23-9-3-4-13-10-15-16(18-11-13)19(2)17(20)24-15/h5-8,10-11H,3-4,9H2,1-2H3