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

Systemtic Name: 1-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: 1-[[4-(2,5-dimethylthiazol-4-yl)phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: 1-[[4-(2,5-dimethyl-4-thiazolyl)phenyl]methyl]-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid Traditional Name: 1-[4-(2,5-dimethylthiazol-4-yl)benzyl]-5-keto-pyrrolidine-3-carboxylic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C)C2=CC=C(C=C2)CN3CC(CC3=O)C(=O)O

Isomeric SMILES

CC1=C(N=C(S1)C)C2=CC=C(C=C2)CN3CC(CC3=O)C(=O)O

InChI

InChI=1S/C17H18N2O3S/c1-10-16(18-11(2)23-10)13-5-3-12(4-6-13)8-19-9-14(17(21)22)7-15(19)20/h3-6,14H,7-9H2,1-2H3,(H,21,22)