2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[(2-methoxy-3-dibenzofuranyl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-[(2-methoxydibenzofuran-3-yl)amino]ethyl]thio]benzoic acid Formula: C22H17NO5S MolecularWeight: 407.43908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSC4=CC=CC=C4C(=O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H17NO5S/c1-27-19-10-15-13-6-2-4-8-17(13)28-18(15)11-16(19)23-21(24)12-29-20-9-5-3-7-14(20)22(25)26/h2-11H,12H2,1H3,(H,23,24)(H,25,26)