4-[[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[4-(2-oxochromen-3-yl)thiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]thio]methyl]benzoic acid IUPAC Name: 4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-(2-ketochromen-3-yl)thiazol-2-yl]thio]methyl]benzoic acid Formula: C20H13NO4S2 MolecularWeight: 395.45152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)SCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)SCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H13NO4S2/c22-18(23)13-7-5-12(6-8-13)10-26-20-21-16(11-27-20)15-9-14-3-1-2-4-17(14)25-19(15)24/h1-9,11H,10H2,(H,22,23)