[(Z)-(7-methyl-4-oxidanylidene-thiopyrano[2,3-b]pyridin-3-ylidene)methyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-(7-methyl-4-oxidanylidene-thiopyrano[2,3-b]pyridin-3-ylidene)methyl] 4-methylbenzenesulfonate Openeye Name: [(Z)-(7-methyl-4-oxo-thiopyrano[2,3-b]pyridin-3-ylidene)methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-(7-methyl-4-oxo-3-thiopyrano[2,3-b]pyridinylidene)methyl] ester IUPAC Name: [(Z)-(7-methyl-4-oxothiopyrano[2,3-b]pyridin-3-ylidene)methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-(4-keto-7-methyl-thiopyrano[2,3-b]pyridin-3-ylidene)methyl] ester Formula: C17H15NO4S2 MolecularWeight: 361.4353

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO4S2/c1-11-3-6-14(7-4-11)24(20,21)22-9-13-10-23-17-15(16(13)19)8-5-12(2)18-17/h3-9H,10H2,1-2H3/b13-9+