2-(4-but-2-ynoxyphenyl)sulfanyl-2-(4-thiophen-2-ylphenyl)ethanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-2-(4-thiophen-2-ylphenyl)ethanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-2-[4-(2-thienyl)phenyl]acetic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)thio]-2-(4-thiophen-2-ylphenyl)acetic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-2-(4-thiophen-2-ylphenyl)acetic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)thio]-2-[4-(2-thienyl)phenyl]acetic acid Formula: C22H18O3S2 MolecularWeight: 394.50652

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC(C2=CC=C(C=C2)C3=CC=CS3)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC(C2=CC=C(C=C2)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C22H18O3S2/c1-2-3-14-25-18-10-12-19(13-11-18)27-21(22(23)24)17-8-6-16(7-9-17)20-5-4-15-26-20/h4-13,15,21H,14H2,1H3,(H,23,24)