2-[2-(5-chloranylthiophen-2-yl)-5-(4-methylsulfanylphenyl)furan-3-yl]ethanoic acid

Systemtic Name: 2-[2-(5-chloranylthiophen-2-yl)-5-(4-methylsulfanylphenyl)furan-3-yl]ethanoic acid Openeye Name: 2-[2-(5-chloro-2-thienyl)-5-(4-methylsulfanylphenyl)-3-furyl]acetic acid CAS Name: 2-[2-(5-chloro-2-thiophenyl)-5-[4-(methylthio)phenyl]-3-furanyl]acetic acid IUPAC Name: 2-[2-(5-chlorothiophen-2-yl)-5-(4-methylsulfanylphenyl)furan-3-yl]acetic acid Traditional Name: 2-[2-(5-chloro-2-thienyl)-5-[4-(methylthio)phenyl]-3-furyl]acetic acid Formula: C17H13ClO3S2 MolecularWeight: 364.86632

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC(=C(O2)C3=CC=C(S3)Cl)CC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC(=C(O2)C3=CC=C(S3)Cl)CC(=O)O

InChI

InChI=1S/C17H13ClO3S2/c1-22-12-4-2-10(3-5-12)13-8-11(9-16(19)20)17(21-13)14-6-7-15(18)23-14/h2-8H,9H2,1H3,(H,19,20)