[7a-methyl-5-oxidanylidene-4-(phenylsulfanylmethyl)-2,3,6,7-tetrahydro-1H-inden-1-yl] 2,2-dimethylpropanoate

Systemtic Name: [7a-methyl-5-oxidanylidene-4-(phenylsulfanylmethyl)-2,3,6,7-tetrahydro-1H-inden-1-yl] 2,2-dimethylpropanoate Openeye Name: [7a-methyl-5-oxo-4-(phenylsulfanylmethyl)-2,3,6,7-tetrahydro-1H-inden-1-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [7a-methyl-5-oxo-4-[(phenylthio)methyl]-2,3,6,7-tetrahydro-1H-inden-1-yl] ester IUPAC Name: [7a-methyl-5-oxo-4-(phenylsulfanylmethyl)-2,3,6,7-tetrahydro-1H-inden-1-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-keto-7a-methyl-4-[(phenylthio)methyl]-2,3,6,7-tetrahydro-1H-inden-1-yl] ester Formula: C22H28O3S MolecularWeight: 372.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C(=C1CCC2OC(=O)C(C)(C)C)CSC3=CC=CC=C3

Isomeric SMILES

CC12CCC(=O)C(=C1CCC2OC(=O)C(C)(C)C)CSC3=CC=CC=C3

InChI

InChI=1S/C22H28O3S/c1-21(2,3)20(24)25-19-11-10-17-16(18(23)12-13-22(17,19)4)14-26-15-8-6-5-7-9-15/h5-9,19H,10-14H2,1-4H3