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

Systemtic Name: 3-azanyl-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-oxidanyl-benzoic acid hydrochloride Openeye Name: 3-amino-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-4-hydroxy-benzoic acid hydrochloride CAS Name: 3-amino-5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-4-hydroxybenzoic acid hydrochloride IUPAC Name: 3-amino-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-hydroxybenzoic acid hydrochloride Traditional Name: 3-amino-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-4-hydroxy-benzoic acid hydrochloride Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=CC(=C3O)N)C(=O)O)OCC.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=CC(=C3O)N)C(=O)O)OCC.Cl

InChI

InChI=1S/C20H20N2O5S.ClH/c1-3-26-16-6-5-11(9-17(16)27-4-2)19-22-15(10-28-19)13-7-12(20(24)25)8-14(21)18(13)23;/h5-10,23H,3-4,21H2,1-2H3,(H,24,25);1H