4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethyl 3-methyl-2-(4-methylphenyl)butanoate

Systemtic Name: 4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethyl 3-methyl-2-(4-methylphenyl)butanoate Openeye Name: 4,5,6,7-tetrahydrobenzothiophen-2-ylmethyl 3-methyl-2-(p-tolyl)butanoate CAS Name: 3-methyl-2-(4-methylphenyl)butanoic acid 4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethyl ester IUPAC Name: 4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethyl 3-methyl-2-(4-methylphenyl)butanoate Traditional Name: 3-methyl-2-(p-tolyl)butyric acid 4,5,6,7-tetrahydrobenzothiophen-2-ylmethyl ester Formula: C21H26O2S MolecularWeight: 342.49494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C)C)C(=O)OCC2=CC3=C(S2)CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(C(C)C)C(=O)OCC2=CC3=C(S2)CCCC3

InChI

InChI=1S/C21H26O2S/c1-14(2)20(16-10-8-15(3)9-11-16)21(22)23-13-18-12-17-6-4-5-7-19(17)24-18/h8-12,14,20H,4-7,13H2,1-3H3