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

Systemtic Name: 3-(azidomethyl)-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methoxy-benzoic acid Openeye Name: 3-(azidomethyl)-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-methoxy-benzoic acid CAS Name: 3-(azidomethyl)-5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-2-methoxybenzoic acid IUPAC Name: 3-(azidomethyl)-5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methoxybenzoic acid Traditional Name: 3-(azidomethyl)-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-methoxy-benzoic acid Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=C(C(=C3)CN=[N+]=[N-])OC)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=C(C(=C3)CN=[N+]=[N-])OC)C(=O)O)OCC

InChI

InChI=1S/C22H22N4O5S/c1-4-30-18-7-6-13(10-19(18)31-5-2)21-25-17(12-32-21)14-8-15(11-24-26-23)20(29-3)16(9-14)22(27)28/h6-10,12H,4-5,11H2,1-3H3,(H,27,28)