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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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