4-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[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=COC(=C1)CNC(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=COC(=C1)CNC(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

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