1-benzothiophene-2-carboxylic acid; methyl 3-methoxy-1,1-bis(oxidanylidene)-1-benzothiophene-2-carboxylate

Systemtic Name: 1-benzothiophene-2-carboxylic acid; methyl 3-methoxy-1,1-bis(oxidanylidene)-1-benzothiophene-2-carboxylate Openeye Name: benzothiophene-2-carboxylic acid; methyl 3-methoxy-1,1-dioxo-benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid; 3-methoxy-1,1-dioxo-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: 1-benzothiophene-2-carboxylic acid; methyl 3-methoxy-1,1-dioxo-1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid; 1,1-diketo-3-methoxy-benzothiophene-2-carboxylic acid methyl ester Formula: C20H16O7S2 MolecularWeight: 432.46684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(S(=O)(=O)C2=CC=CC=C21)C(=O)OC.C1=CC=C2C(=C1)C=C(S2)C(=O)O

Isomeric SMILES

COC1=C(S(=O)(=O)C2=CC=CC=C21)C(=O)OC.C1=CC=C2C(=C1)C=C(S2)C(=O)O

InChI

InChI=1S/C11H10O5S.C9H6O2S/c1-15-9-7-5-3-4-6-8(7)17(13,14)10(9)11(12)16-2;10-9(11)8-5-6-3-1-2-4-7(6)12-8/h3-6H,1-2H3;1-5H,(H,10,11)