methyl 4-[3-[5-(4,4-dimethyl-3-oxidanylidene-pentyl)-4-methyl-thiophen-2-yl]pentan-3-yl]-2-methyl-benzoate

Systemtic Name: methyl 4-[3-[5-(4,4-dimethyl-3-oxidanylidene-pentyl)-4-methyl-thiophen-2-yl]pentan-3-yl]-2-methyl-benzoate Openeye Name: methyl 4-[1-[5-(4,4-dimethyl-3-oxo-pentyl)-4-methyl-2-thienyl]-1-ethyl-propyl]-2-methyl-benzoate CAS Name: 4-[3-[5-(4,4-dimethyl-3-oxopentyl)-4-methyl-2-thiophenyl]pentan-3-yl]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-[5-(4,4-dimethyl-3-oxopentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoate Traditional Name: 4-[1-ethyl-1-[5-(3-keto-4,4-dimethyl-pentyl)-4-methyl-2-thienyl]propyl]-2-methyl-benzoic acid methyl ester Formula: C26H36O3S MolecularWeight: 428.62724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)C(=O)OC)C)C2=CC(=C(S2)CCC(=O)C(C)(C)C)C

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)C(=O)OC)C)C2=CC(=C(S2)CCC(=O)C(C)(C)C)C

InChI

InChI=1S/C26H36O3S/c1-9-26(10-2,19-11-12-20(17(3)15-19)24(28)29-8)23-16-18(4)21(30-23)13-14-22(27)25(5,6)7/h11-12,15-16H,9-10,13-14H2,1-8H3