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

Systemtic Name: 2-azanyl-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoic acid Openeye Name: 2-amino-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]benzoic acid CAS Name: 2-amino-5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]benzoic acid IUPAC Name: 2-amino-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]benzoic acid Traditional Name: 2-amino-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]benzoic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=C(C=C3)N)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=C(C=C3)N)C(=O)O)OCC

InChI

InChI=1S/C20H20N2O4S/c1-3-25-17-8-6-13(10-18(17)26-4-2)19-22-16(11-27-19)12-5-7-15(21)14(9-12)20(23)24/h5-11H,3-4,21H2,1-2H3,(H,23,24)