5-[[3-(ethylsulfanylmethyl)-1-benzofuran-2-yl]carbonylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[3-(ethylsulfanylmethyl)-1-benzofuran-2-yl]carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[3-(ethylsulfanylmethyl)benzofuran-2-carbonyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[[3-[(ethylthio)methyl]-2-benzofuranyl]-oxomethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[3-(ethylsulfanylmethyl)-1-benzofuran-2-carbonyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[3-[(ethylthio)methyl]benzofuran-2-carbonyl]amino]-2-hydroxy-benzoic acid Formula: C19H17NO5S MolecularWeight: 371.40698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(OC2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CCSCC1=C(OC2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C19H17NO5S/c1-2-26-10-14-12-5-3-4-6-16(12)25-17(14)18(22)20-11-7-8-15(21)13(9-11)19(23)24/h3-9,21H,2,10H2,1H3,(H,20,22)(H,23,24)