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

Systemtic Name: methyl 6-ethyl-3-methyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6},4-benzodithiine-7-carboxylate Openeye Name: methyl 6-ethyl-3-methyl-1,1-dioxo-2,3-dihydro-1$l^{6},4-benzodithiine-7-carboxylate CAS Name: 6-ethyl-3-methyl-1,1-dioxo-2,3-dihydro-1$l^{6},4-benzodithiin-7-carboxylic acid methyl ester IUPAC Name: methyl 6-ethyl-3-methyl-1,1-dioxo-2,3-dihydro-1$l^{6},4-benzodithiine-7-carboxylate Traditional Name: 6-ethyl-1,1-diketo-3-methyl-2,3-dihydro-1$l^{6},4-benzodithiin-7-carboxylic acid methyl ester Formula: C13H16O4S2 MolecularWeight: 300.39374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C(=O)OC)S(=O)(=O)CC(S2)C

Isomeric SMILES

CCC1=CC2=C(C=C1C(=O)OC)S(=O)(=O)CC(S2)C

InChI

InChI=1S/C13H16O4S2/c1-4-9-5-11-12(6-10(9)13(14)17-3)19(15,16)7-8(2)18-11/h5-6,8H,4,7H2,1-3H3