tert-butyl 4-methoxy-1,1-bis(oxidanylidene)-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-5-carboxylate

Systemtic Name: tert-butyl 4-methoxy-1,1-bis(oxidanylidene)-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-5-carboxylate Openeye Name: tert-butyl 4-methoxy-1,1-dioxo-3-phenylsulfanyl-2,3-dihydrobenzothiophene-5-carboxylate CAS Name: 4-methoxy-1,1-dioxo-3-(phenylthio)-2,3-dihydro-1-benzothiophene-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-methoxy-1,1-dioxo-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-5-carboxylate Traditional Name: 1,1-diketo-4-methoxy-3-(phenylthio)-2,3-dihydrobenzothiophene-5-carboxylic acid tert-butyl ester Formula: C20H22O5S2 MolecularWeight: 406.51568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C2=C(C=C1)S(=O)(=O)CC2SC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C2=C(C=C1)S(=O)(=O)CC2SC3=CC=CC=C3)OC

InChI

InChI=1S/C20H22O5S2/c1-20(2,3)25-19(21)14-10-11-16-17(18(14)24-4)15(12-27(16,22)23)26-13-8-6-5-7-9-13/h5-11,15H,12H2,1-4H3