4-[2-(furan-2-ylmethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(furan-2-ylmethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(2-furylmethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(2-furanylmethylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(2-furfurylthio)acetyl]amino]benzoic acid Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=COC(=C1)CSCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

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