3-[5-azanyl-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[5-azanyl-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]benzoic acid Openeye Name: 3-[5-amino-4-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]benzoic acid CAS Name: 3-[5-amino-4-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-3-oxo-2H-pyrrol-1-yl]benzoic acid IUPAC Name: 3-[5-amino-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-amino-3-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-4-keto-2-pyrrolin-1-yl]benzoic acid Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)C4=CC=CC(=C4)C(=O)O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)C4=CC=CC(=C4)C(=O)O)N)OC

InChI

InChI=1S/C22H19N3O5S/c1-29-17-7-6-12(9-18(17)30-2)15-11-31-21(24-15)19-16(26)10-25(20(19)23)14-5-3-4-13(8-14)22(27)28/h3-9,11H,10,23H2,1-2H3,(H,27,28)