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

Systemtic Name: methyl 5-[3-[4-(3-ethyl-3-oxidanyl-pent-4-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-4-ynyl)-3-methyl-phenyl]propyl]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[3-[4-(3-ethyl-3-hydroxypent-4-ynyl)-3-methylphenyl]pentan-3-yl]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[4-(3-ethyl-3-hydroxypent-4-ynyl)-3-methylphenyl]pentan-3-yl]-3-methylthiophene-2-carboxylate Traditional Name: 5-[1-ethyl-1-[4-(3-ethyl-3-hydroxy-pent-4-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)(C1=CC(=C(C=C1)CCC(CC)(C#C)O)C)C2=CC(=C(S2)C(=O)OC)C

Isomeric SMILES

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

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/h1,12-13,16-17,28H,9-11,14-15H2,2-7H3