methyl 5-[3-[4-(4,4-dimethyl-3-oxidanylidene-pentyl)-3-methyl-phenyl]pentan-3-yl]-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[3-[4-(4,4-dimethyl-3-oxidanylidene-pentyl)-3-methyl-phenyl]pentan-3-yl]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[1-[4-(4,4-dimethyl-3-oxo-pentyl)-3-methyl-phenyl]-1-ethyl-propyl]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[3-[4-(4,4-dimethyl-3-oxopentyl)-3-methylphenyl]pentan-3-yl]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[4-(4,4-dimethyl-3-oxopentyl)-3-methylphenyl]pentan-3-yl]-3-methylthiophene-2-carboxylate Traditional Name: 5-[1-ethyl-1-[4-(3-keto-4,4-dimethyl-pentyl)-3-methyl-phenyl]propyl]-3-methyl-thiophene-2-carboxylic 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)CCC(=O)C(C)(C)C)C)C2=CC(=C(S2)C(=O)OC)C

Isomeric SMILES

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

InChI

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