methyl 6,6-dimethyl-4-oxidanylidene-3-[2-(phenylcarbamoyloxy)ethylsulfanyl]-5,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: methyl 6,6-dimethyl-4-oxidanylidene-3-[2-(phenylcarbamoyloxy)ethylsulfanyl]-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: methyl 6,6-dimethyl-4-oxo-3-[2-(phenylcarbamoyloxy)ethylsulfanyl]-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 3-[2-[anilino(oxo)methoxy]ethylthio]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid methyl ester IUPAC Name: methyl 6,6-dimethyl-4-oxo-3-[2-(phenylcarbamoyloxy)ethylsulfanyl]-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 4-keto-6,6-dimethyl-3-[2-(phenylcarbamoyloxy)ethylthio]-5,7-dihydroisobenzothiophene-1-carboxylic acid methyl ester Formula: C21H23NO5S2 MolecularWeight: 433.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SCCOC(=O)NC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SCCOC(=O)NC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C21H23NO5S2/c1-21(2)11-14-16(15(23)12-21)19(29-17(14)18(24)26-3)28-10-9-27-20(25)22-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,22,25)