2-methyl-2-[2-[4-(5-phenylpent-1-ynyl)thiophen-2-yl]ethyl]propanedioic acid

Systemtic Name: 2-methyl-2-[2-[4-(5-phenylpent-1-ynyl)thiophen-2-yl]ethyl]propanedioic acid Openeye Name: 2-methyl-2-[2-[4-(5-phenylpent-1-ynyl)-2-thienyl]ethyl]propanedioic acid CAS Name: 2-methyl-2-[2-[4-(5-phenylpent-1-ynyl)-2-thiophenyl]ethyl]propanedioic acid IUPAC Name: 2-methyl-2-[2-[4-(5-phenylpent-1-ynyl)thiophen-2-yl]ethyl]propanedioic acid Traditional Name: 2-methyl-2-[2-[4-(5-phenylpent-1-ynyl)-2-thienyl]ethyl]malonic acid Formula: C21H22O4S MolecularWeight: 370.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC(=CS1)C#CCCCC2=CC=CC=C2)(C(=O)O)C(=O)O

Isomeric SMILES

CC(CCC1=CC(=CS1)C#CCCCC2=CC=CC=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C21H22O4S/c1-21(19(22)23,20(24)25)13-12-18-14-17(15-26-18)11-7-3-6-10-16-8-4-2-5-9-16/h2,4-5,8-9,14-15H,3,6,10,12-13H2,1H3,(H,22,23)(H,24,25)