5-[4-(2,3-diethoxyphenyl)-5H-1,3-thiazol-4-yl]-3-(methylaminomethyl)-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-(2,3-diethoxyphenyl)-5H-1,3-thiazol-4-yl]-3-(methylaminomethyl)-2-oxidanyl-benzoic acid Openeye Name: 5-[4-(2,3-diethoxyphenyl)-5H-thiazol-4-yl]-2-hydroxy-3-(methylaminomethyl)benzoic acid CAS Name: 5-[4-(2,3-diethoxyphenyl)-5H-thiazol-4-yl]-2-hydroxy-3-(methylaminomethyl)benzoic acid IUPAC Name: 5-[4-(2,3-diethoxyphenyl)-5H-1,3-thiazol-4-yl]-2-hydroxy-3-(methylaminomethyl)benzoic acid Traditional Name: 5-[4-(2,3-diethoxyphenyl)-2-thiazolin-4-yl]-2-hydroxy-3-(methylaminomethyl)benzoic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC)C2(CSC=N2)C3=CC(=C(C(=C3)C(=O)O)O)CNC

Isomeric SMILES

CCOC1=CC=CC(=C1OCC)C2(CSC=N2)C3=CC(=C(C(=C3)C(=O)O)O)CNC

InChI

InChI=1S/C22H26N2O5S/c1-4-28-18-8-6-7-17(20(18)29-5-2)22(12-30-13-24-22)15-9-14(11-23-3)19(25)16(10-15)21(26)27/h6-10,13,23,25H,4-5,11-12H2,1-3H3,(H,26,27)