(2R,3R)-1-(methoxymethyl)-2-(3-methylthiophen-2-yl)-6-oxidanylidene-piperidine-3-carboxylic acid

Systemtic Name: (2R,3R)-1-(methoxymethyl)-2-(3-methylthiophen-2-yl)-6-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: (2R,3R)-1-(methoxymethyl)-2-(3-methyl-2-thienyl)-6-oxo-piperidine-3-carboxylic acid CAS Name: (2R,3R)-1-(methoxymethyl)-2-(3-methyl-2-thiophenyl)-6-oxo-3-piperidinecarboxylic acid IUPAC Name: (2R,3R)-1-(methoxymethyl)-2-(3-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid Traditional Name: (2R,3R)-6-keto-1-(methoxymethyl)-2-(3-methyl-2-thienyl)nipecotic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(CCC(=O)N2COC)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)[C@H]2[C@@H](CCC(=O)N2COC)C(=O)O

InChI

InChI=1S/C13H17NO4S/c1-8-5-6-19-12(8)11-9(13(16)17)3-4-10(15)14(11)7-18-2/h5-6,9,11H,3-4,7H2,1-2H3,(H,16,17)/t9-,11-/m1/s1