[(Z)-(4-oxidanylidenethiopyrano[2,3-b]pyridin-3-ylidene)methyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-(4-oxidanylidenethiopyrano[2,3-b]pyridin-3-ylidene)methyl] 4-methylbenzenesulfonate Openeye Name: [(Z)-(4-oxothiopyrano[2,3-b]pyridin-3-ylidene)methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-(4-oxo-3-thiopyrano[2,3-b]pyridinylidene)methyl] ester IUPAC Name: [(Z)-(4-oxothiopyrano[2,3-b]pyridin-3-ylidene)methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-(4-ketothiopyrano[2,3-b]pyridin-3-ylidene)methyl] ester Formula: C16H13NO4S2 MolecularWeight: 347.40872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC=C2CSC3=C(C2=O)C=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/C=C/2\CSC3=C(C2=O)C=CC=N3

InChI

InChI=1S/C16H13NO4S2/c1-11-4-6-13(7-5-11)23(19,20)21-9-12-10-22-16-14(15(12)18)3-2-8-17-16/h2-9H,10H2,1H3/b12-9+