3-[[3-(2-azanyl-1,3-thiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[3-(2-azanyl-1,3-thiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]methyl]benzoic acid Openeye Name: 3-[[3-(2-aminothiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]methyl]benzoic acid CAS Name: 3-[[3-(2-amino-4-thiazolyl)-2,5-dimethyl-1-pyrrolyl]methyl]benzoic acid IUPAC Name: 3-[[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]methyl]benzoic acid Traditional Name: 3-[[3-(2-aminothiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]methyl]benzoic acid Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC(=C2)C(=O)O)C)C3=CSC(=N3)N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC(=C2)C(=O)O)C)C3=CSC(=N3)N

InChI

InChI=1S/C17H17N3O2S/c1-10-6-14(15-9-23-17(18)19-15)11(2)20(10)8-12-4-3-5-13(7-12)16(21)22/h3-7,9H,8H2,1-2H3,(H2,18,19)(H,21,22)