ethyl 3-methyl-4,5-bis(oxidanylidene)benzo[g][1]benzothiole-2-carboxylate

Systemtic Name: ethyl 3-methyl-4,5-bis(oxidanylidene)benzo[g][1]benzothiole-2-carboxylate Openeye Name: ethyl 3-methyl-4,5-dioxo-benzo[g]benzothiophene-2-carboxylate CAS Name: 3-methyl-4,5-dioxo-2-benzo[g][1]benzothiolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4,5-dioxobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-diketo-3-methyl-benzo[g]benzothiophene-2-carboxylic acid ethyl ester Formula: C16H12O4S MolecularWeight: 300.32908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C3=CC=CC=C3C(=O)C2=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C3=CC=CC=C3C(=O)C2=O)C

InChI

InChI=1S/C16H12O4S/c1-3-20-16(19)14-8(2)11-13(18)12(17)9-6-4-5-7-10(9)15(11)21-14/h4-7H,3H2,1-2H3