2-[5-(4-chlorophenyl)-2-thiophen-2-yl-thian-2-yl]ethanoic acid

Systemtic Name: 2-[5-(4-chlorophenyl)-2-thiophen-2-yl-thian-2-yl]ethanoic acid Openeye Name: 2-[5-(4-chlorophenyl)-2-(2-thienyl)tetrahydrothiopyran-2-yl]acetic acid CAS Name: 2-[5-(4-chlorophenyl)-2-thiophen-2-yl-2-thianyl]acetic acid IUPAC Name: 2-[5-(4-chlorophenyl)-2-thiophen-2-ylthian-2-yl]acetic acid Traditional Name: 2-[5-(4-chlorophenyl)-2-(2-thienyl)tetrahydrothiopyran-2-yl]acetic acid Formula: C17H17ClO2S2 MolecularWeight: 352.89868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(SCC1C2=CC=C(C=C2)Cl)(CC(=O)O)C3=CC=CS3

Isomeric SMILES

C1CC(SCC1C2=CC=C(C=C2)Cl)(CC(=O)O)C3=CC=CS3

InChI

InChI=1S/C17H17ClO2S2/c18-14-5-3-12(4-6-14)13-7-8-17(22-11-13,10-16(19)20)15-2-1-9-21-15/h1-6,9,13H,7-8,10-11H2,(H,19,20)