[7,7-bis(oxidanylidene)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl] 3-methylbenzoate

Systemtic Name: [7,7-bis(oxidanylidene)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl] 3-methylbenzoate Openeye Name: (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) 3-methylbenzoate CAS Name: 3-methylbenzoic acid (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) ester IUPAC Name: (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (7,7-diketo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) ester Formula: C15H14O4S2 MolecularWeight: 322.39926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2CCS(=O)(=O)C3=C2C=CS3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2CCS(=O)(=O)C3=C2C=CS3

InChI

InChI=1S/C15H14O4S2/c1-10-3-2-4-11(9-10)14(16)19-13-6-8-21(17,18)15-12(13)5-7-20-15/h2-5,7,9,13H,6,8H2,1H3