methyl 7-ethyl-3-methyl-4,4-bis(oxidanylidene)-2,3-dihydro-1,4$l^{6}-benzoxathiine-6-carboxylate

Systemtic Name: methyl 7-ethyl-3-methyl-4,4-bis(oxidanylidene)-2,3-dihydro-1,4$l^{6}-benzoxathiine-6-carboxylate Openeye Name: methyl 7-ethyl-3-methyl-4,4-dioxo-2,3-dihydro-1,4$l^{6}-benzoxathiine-6-carboxylate CAS Name: 7-ethyl-3-methyl-4,4-dioxo-2,3-dihydro-1,4$l^{6}-benzoxathiin-6-carboxylic acid methyl ester IUPAC Name: methyl 7-ethyl-3-methyl-4,4-dioxo-2,3-dihydro-1,4$l^{6}-benzoxathiine-6-carboxylate Traditional Name: 7-ethyl-4,4-diketo-3-methyl-2,3-dihydro-1,4$l^{6}-benzoxathiin-6-carboxylic acid methyl ester Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C(=O)OC)S(=O)(=O)C(CO2)C

Isomeric SMILES

CCC1=CC2=C(C=C1C(=O)OC)S(=O)(=O)C(CO2)C

InChI

InChI=1S/C13H16O5S/c1-4-9-5-11-12(6-10(9)13(14)17-3)19(15,16)8(2)7-18-11/h5-6,8H,4,7H2,1-3H3