tert-butyl 2-(6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophen-1-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-(6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophen-1-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-(6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophen-1-yl)pyrrole-1-carboxylate CAS Name: 2-[6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophen-1-yl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophen-1-yl)pyrrole-1-carboxylate Traditional Name: 2-[4-keto-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophen-1-yl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C20H25NO3S2 MolecularWeight: 391.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=CC=CN3C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=CC=CN3C(=O)OC(C)(C)C)C

InChI

InChI=1S/C20H25NO3S2/c1-19(2,3)24-18(23)21-9-7-8-13(21)16-12-10-20(4,5)11-14(22)15(12)17(25-6)26-16/h7-9H,10-11H2,1-6H3