2-phenyl-4-(pyrrol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-phenyl-4-(pyrrol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid Openeye Name: 2-phenyl-4-(pyrrol-1-ylmethyl)thiazole-5-carboxylic acid CAS Name: 2-phenyl-4-(1-pyrrolylmethyl)-5-thiazolecarboxylic acid IUPAC Name: 2-phenyl-4-(pyrrol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid Traditional Name: 2-phenyl-4-(pyrrol-1-ylmethyl)thiazole-5-carboxylic acid Formula: C15H12N2O2S MolecularWeight: 284.33298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(S2)C(=O)O)CN3C=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(S2)C(=O)O)CN3C=CC=C3

InChI

InChI=1S/C15H12N2O2S/c18-15(19)13-12(10-17-8-4-5-9-17)16-14(20-13)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)