(3,3-dimethyl-2-oxidanylidene-butyl) 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H22O4S MolecularWeight: 358.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC2=C(S1)C3=C(CC2)C=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC2=C(S1)C3=C(CC2)C=C(C=C3)OC

InChI

InChI=1S/C20H22O4S/c1-20(2,3)17(21)11-24-19(22)16-10-13-6-5-12-9-14(23-4)7-8-15(12)18(13)25-16/h7-10H,5-6,11H2,1-4H3