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

Systemtic Name: (phenylmethyl) 4-methoxy-1,1-bis(oxidanylidene)-3-phenylsulfanyl-2,3-dihydro-1-benzothiophene-5-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C23H20O5S2 MolecularWeight: 440.5319

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1C(CS2(=O)=O)SC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC2=C1C(CS2(=O)=O)SC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H20O5S2/c1-27-22-18(23(24)28-14-16-8-4-2-5-9-16)12-13-20-21(22)19(15-30(20,25)26)29-17-10-6-3-7-11-17/h2-13,19H,14-15H2,1H3