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

Systemtic Name: 4-[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrrole-2-carboxylic acid Openeye Name: 4-[4-(3,4-diethoxyphenyl)thiazol-2-yl]-1-(methoxymethyl)pyrrole-2-carboxylic acid CAS Name: 4-[4-(3,4-diethoxyphenyl)-2-thiazolyl]-1-(methoxymethyl)-2-pyrrolecarboxylic acid IUPAC Name: 4-[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrrole-2-carboxylic acid Traditional Name: 4-[4-(3,4-diethoxyphenyl)thiazol-2-yl]-1-(methoxymethyl)pyrrole-2-carboxylic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=CSC(=N2)C3=CN(C(=C3)C(=O)O)COC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=CSC(=N2)C3=CN(C(=C3)C(=O)O)COC)OCC

InChI

InChI=1S/C20H22N2O5S/c1-4-26-17-7-6-13(9-18(17)27-5-2)15-11-28-19(21-15)14-8-16(20(23)24)22(10-14)12-25-3/h6-11H,4-5,12H2,1-3H3,(H,23,24)