2-[(4-iodophenyl)amino]-2-[5-(methylsulfanylmethyl)furan-2-yl]ethanoic acid

Systemtic Name: 2-[(4-iodophenyl)amino]-2-[5-(methylsulfanylmethyl)furan-2-yl]ethanoic acid Openeye Name: 2-(4-iodoanilino)-2-[5-(methylsulfanylmethyl)-2-furyl]acetic acid CAS Name: 2-(4-iodoanilino)-2-[5-[(methylthio)methyl]-2-furanyl]acetic acid IUPAC Name: 2-(4-iodoanilino)-2-[5-(methylsulfanylmethyl)furan-2-yl]acetic acid Traditional Name: 2-(4-iodoanilino)-2-[5-[(methylthio)methyl]-2-furyl]acetic acid Formula: C14H14INO3S MolecularWeight: 403.23533

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)C(C(=O)O)NC2=CC=C(C=C2)I

Isomeric SMILES

CSCC1=CC=C(O1)C(C(=O)O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C14H14INO3S/c1-20-8-11-6-7-12(19-11)13(14(17)18)16-10-4-2-9(15)3-5-10/h2-7,13,16H,8H2,1H3,(H,17,18)