methyl 5-[3-[4-(3-ethyl-3-oxidanyl-pent-1-ynyl)-3-methyl-phenyl]pentan-3-yl]-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[3-[4-(3-ethyl-3-oxidanyl-pent-1-ynyl)-3-methyl-phenyl]pentan-3-yl]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[1-ethyl-1-[4-(3-ethyl-3-hydroxy-pent-1-ynyl)-3-methyl-phenyl]propyl]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]-3-methylthiophene-2-carboxylate Traditional Name: 5-[1-ethyl-1-[4-(3-ethyl-3-hydroxy-pent-1-ynyl)-3-methyl-phenyl]propyl]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C26H34O3S MolecularWeight: 426.61136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CC1=C(C=C(C=C1)C(CC)(CC)C2=CC(=C(S2)C(=O)OC)C)C)O

Isomeric SMILES

CCC(CC)(C#CC1=C(C=C(C=C1)C(CC)(CC)C2=CC(=C(S2)C(=O)OC)C)C)O

InChI

InChI=1S/C26H34O3S/c1-8-25(28,9-2)15-14-20-12-13-21(16-18(20)5)26(10-3,11-4)22-17-19(6)23(30-22)24(27)29-7/h12-13,16-17,28H,8-11H2,1-7H3