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

Systemtic Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-methoxy-3-(1-oxidanylbut-3-enyl)benzoic acid Openeye Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-3-(1-hydroxybut-3-enyl)-2-methoxy-benzoic acid CAS Name: 5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-3-(1-hydroxybut-3-enyl)-2-methoxybenzoic acid IUPAC Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3-(1-hydroxybut-3-enyl)-2-methoxybenzoic acid Traditional Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-3-(1-hydroxybut-3-enyl)-2-methoxy-benzoic acid Formula: C25H27NO6S MolecularWeight: 469.54998

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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(CC=C)O)OC)C(=O)O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO6S/c1-5-8-20(27)17-11-16(12-18(25(28)29)23(17)30-4)19-14-33-24(26-19)15-9-10-21(31-6-2)22(13-15)32-7-3/h5,9-14,20,27H,1,6-8H2,2-4H3,(H,28,29)