5-[(2-azanyl-4-chloranyl-phenyl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(2-azanyl-4-chloranyl-phenyl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(2-amino-4-chloro-phenyl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(2-amino-4-chlorophenyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-amino-4-chlorophenyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(2-amino-4-chloro-phenyl)thio]methyl]-2-furoic acid Formula: C12H10ClNO3S MolecularWeight: 283.7307

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)N)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)N)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C12H10ClNO3S/c13-7-1-4-11(9(14)5-7)18-6-8-2-3-10(17-8)12(15)16/h1-5H,6,14H2,(H,15,16)