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

Systemtic Name: 3-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-oxidanyl-5-prop-2-enyl-benzoic acid Openeye Name: 3-allyl-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-4-hydroxy-benzoic acid CAS Name: 3-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-4-hydroxy-5-prop-2-enylbenzoic acid IUPAC Name: 3-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-hydroxy-5-prop-2-enylbenzoic acid Traditional Name: 3-allyl-5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-4-hydroxy-benzoic acid Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5S/c1-4-7-14-10-16(23(26)27)11-17(21(14)25)18-13-30-22(24-18)15-8-9-19(28-5-2)20(12-15)29-6-3/h4,8-13,25H,1,5-7H2,2-3H3,(H,26,27)