methyl 3-methyl-5-[3-[3-methyl-4-(3-methyl-3-oxidanyl-pent-4-ynyl)phenyl]pentan-3-yl]thiophene-2-carboxylate

Systemtic Name: methyl 3-methyl-5-[3-[3-methyl-4-(3-methyl-3-oxidanyl-pent-4-ynyl)phenyl]pentan-3-yl]thiophene-2-carboxylate Openeye Name: methyl 5-[1-ethyl-1-[4-(3-hydroxy-3-methyl-pent-4-ynyl)-3-methyl-phenyl]propyl]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[4-(3-hydroxy-3-methylpent-4-ynyl)-3-methylphenyl]pentan-3-yl]-3-methylthiophene-2-carboxylate Traditional Name: 5-[1-ethyl-1-[4-(3-hydroxy-3-methyl-pent-4-ynyl)-3-methyl-phenyl]propyl]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C25H32O3S MolecularWeight: 412.58478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32O3S/c1-8-24(6,27)14-13-19-11-12-20(15-17(19)4)25(9-2,10-3)21-16-18(5)22(29-21)23(26)28-7/h1,11-12,15-16,27H,9-10,13-14H2,2-7H3