5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-1H-pyrrole-3-carboxylic acid CAS Name: 5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-1H-pyrrole-3-carboxylic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=CN3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=CN3)C(=O)O)OCC

InChI

InChI=1S/C18H18N2O4S/c1-3-23-15-6-5-11(8-16(15)24-4-2)17-20-14(10-25-17)13-7-12(9-19-13)18(21)22/h5-10,19H,3-4H2,1-2H3,(H,21,22)