2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]benzoic acid Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NCC2=CC=CO2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NCC2=CC=CO2

InChI

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