methyl 5-[2-(2,3-diethoxyphenyl)-1,3-thiazol-4-yl]-3-methanoyl-2-oxidanyl-benzoate

Systemtic Name: methyl 5-[2-(2,3-diethoxyphenyl)-1,3-thiazol-4-yl]-3-methanoyl-2-oxidanyl-benzoate Openeye Name: methyl 5-[2-(2,3-diethoxyphenyl)thiazol-4-yl]-3-formyl-2-hydroxy-benzoate CAS Name: 5-[2-(2,3-diethoxyphenyl)-4-thiazolyl]-3-formyl-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 5-[2-(2,3-diethoxyphenyl)-1,3-thiazol-4-yl]-3-formyl-2-hydroxybenzoate Traditional Name: 5-[2-(2,3-diethoxyphenyl)thiazol-4-yl]-3-formyl-2-hydroxy-benzoic acid methyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC)C2=NC(=CS2)C3=CC(=C(C(=C3)C(=O)OC)O)C=O

Isomeric SMILES

CCOC1=CC=CC(=C1OCC)C2=NC(=CS2)C3=CC(=C(C(=C3)C(=O)OC)O)C=O

InChI

InChI=1S/C22H21NO6S/c1-4-28-18-8-6-7-15(20(18)29-5-2)21-23-17(12-30-21)13-9-14(11-24)19(25)16(10-13)22(26)27-3/h6-12,25H,4-5H2,1-3H3