5-[(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(2-anilino-2-oxo-ethyl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(2-anilino-2-oxoethyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-anilino-2-oxoethyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(2-anilino-2-keto-ethyl)thio]methyl]-2-furoic acid Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSCC2=CC=C(O2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C14H13NO4S/c16-13(15-10-4-2-1-3-5-10)9-20-8-11-6-7-12(19-11)14(17)18/h1-7H,8-9H2,(H,15,16)(H,17,18)