4-[2-(furan-2-ylmethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: 4-[2-(furan-2-ylmethylsulfanyl)ethanoylamino]benzoate Openeye Name: 4-[[2-(2-furylmethylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(2-furanylmethylthio)-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2-furfurylthio)acetyl]amino]benzoate Formula: C14H12NO4S- MolecularWeight: 290.31438

Click to see the large picture

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)/p-1