2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxylate Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-1,3-benzothiazole-6-carboxylate IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazole-6-carboxylate Formula: C14H11N2O2S- MolecularWeight: 271.31434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C14H12N2O2S/c1-8-3-4-9(2)16(8)14-15-11-6-5-10(13(17)18)7-12(11)19-14/h3-7H,1-2H3,(H,17,18)/p-1