3-methyl-5-[5-[4-(4-methylphenyl)butyl]thiophen-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 3-methyl-5-[5-[4-(4-methylphenyl)butyl]thiophen-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 3-methyl-5-oxo-5-[5-[4-(p-tolyl)butyl]-2-thienyl]pentanoate CAS Name: 3-methyl-5-[5-[4-(4-methylphenyl)butyl]-2-thiophenyl]-5-oxopentanoate IUPAC Name: 3-methyl-5-[5-[4-(4-methylphenyl)butyl]thiophen-2-yl]-5-oxopentanoate Traditional Name: 5-keto-3-methyl-5-[5-[4-(p-tolyl)butyl]-2-thienyl]valerate Formula: C21H25O3S- MolecularWeight: 357.4864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCCC2=CC=C(S2)C(=O)CC(C)CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CCCCC2=CC=C(S2)C(=O)CC(C)CC(=O)[O-]

InChI

InChI=1S/C21H26O3S/c1-15-7-9-17(10-8-15)5-3-4-6-18-11-12-20(25-18)19(22)13-16(2)14-21(23)24/h7-12,16H,3-6,13-14H2,1-2H3,(H,23,24)/p-1