3-methylbutyl 5-methyl-1,1-bis(oxidanylidene)-3-propan-2-yl-2,3-dihydro-1-benzothiophene-6-carboxylate

Systemtic Name: 3-methylbutyl 5-methyl-1,1-bis(oxidanylidene)-3-propan-2-yl-2,3-dihydro-1-benzothiophene-6-carboxylate Openeye Name: isopentyl 3-isopropyl-5-methyl-1,1-dioxo-2,3-dihydrobenzothiophene-6-carboxylate CAS Name: 5-methyl-1,1-dioxo-3-propan-2-yl-2,3-dihydro-1-benzothiophene-6-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 5-methyl-1,1-dioxo-3-propan-2-yl-2,3-dihydro-1-benzothiophene-6-carboxylate Traditional Name: 3-isopropyl-1,1-diketo-5-methyl-2,3-dihydrobenzothiophene-6-carboxylic acid isoamyl ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)OCCC(C)C)S(=O)(=O)CC2C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)OCCC(C)C)S(=O)(=O)CC2C(C)C

InChI

InChI=1S/C18H26O4S/c1-11(2)6-7-22-18(19)14-9-17-15(8-13(14)5)16(12(3)4)10-23(17,20)21/h8-9,11-12,16H,6-7,10H2,1-5H3