1-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: 1-[[4-(2-methylthiazol-4-yl)phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: 1-[[4-(2-methyl-4-thiazolyl)phenyl]methyl]-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid Traditional Name: 5-keto-1-[4-(2-methylthiazol-4-yl)benzyl]pyrrolidine-3-carboxylic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)CN3CC(CC3=O)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)CN3CC(CC3=O)C(=O)O

InChI

InChI=1S/C16H16N2O3S/c1-10-17-14(9-22-10)12-4-2-11(3-5-12)7-18-8-13(16(20)21)6-15(18)19/h2-5,9,13H,6-8H2,1H3,(H,20,21)