ethyl 3-methyl-4,7-bis(oxidanylidene)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-4,7-bis(oxidanylidene)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-methyl-4,7-dioxo-benzothiophene-2-carboxylate CAS Name: 3-methyl-4,7-dioxo-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4,7-dioxo-1-benzothiophene-2-carboxylate Traditional Name: 4,7-diketo-3-methyl-benzothiophene-2-carboxylic acid ethyl ester Formula: C12H10O4S MolecularWeight: 250.2704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C(=O)C=CC2=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C(=O)C=CC2=O)C

InChI

InChI=1S/C12H10O4S/c1-3-16-12(15)10-6(2)9-7(13)4-5-8(14)11(9)17-10/h4-5H,3H2,1-2H3