2-[2-methyl-4-[5-(4-phenylmethoxybut-1-ynyl)thiophen-2-yl]butoxy]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-methyl-4-[5-(4-phenylmethoxybut-1-ynyl)thiophen-2-yl]butoxy]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[5-(4-benzyloxybut-1-ynyl)-2-thienyl]-2-methyl-butoxy]-2-oxo-acetic acid CAS Name: 2-[2-methyl-4-[5-(4-phenylmethoxybut-1-ynyl)-2-thiophenyl]butoxy]-2-oxoacetic acid IUPAC Name: 2-[2-methyl-4-[5-(4-phenylmethoxybut-1-ynyl)thiophen-2-yl]butoxy]-2-oxoacetic acid Traditional Name: 2-[4-[5-(4-benzoxybut-1-ynyl)-2-thienyl]-2-methyl-butoxy]-2-keto-acetic acid Formula: C22H24O5S MolecularWeight: 400.48796

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C#CCCOCC2=CC=CC=C2)COC(=O)C(=O)O

Isomeric SMILES

CC(CCC1=CC=C(S1)C#CCCOCC2=CC=CC=C2)COC(=O)C(=O)O

InChI

InChI=1S/C22H24O5S/c1-17(15-27-22(25)21(23)24)10-11-20-13-12-19(28-20)9-5-6-14-26-16-18-7-3-2-4-8-18/h2-4,7-8,12-13,17H,6,10-11,14-16H2,1H3,(H,23,24)