2-(oxan-2-yloxymethyl)-1-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)pyrrolidine-3-carboxylic acid

Systemtic Name: 2-(oxan-2-yloxymethyl)-1-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)pyrrolidine-3-carboxylic acid Openeye Name: 2-(tetrahydropyran-2-yloxymethyl)-1-(3-thioxocyclohexa-1,5-dien-1-yl)pyrrolidine-3-carboxylic acid CAS Name: 2-(2-oxanyloxymethyl)-1-(3-sulfanylidene-1-cyclohexa-1,5-dienyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 2-(oxan-2-yloxymethyl)-1-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)pyrrolidine-3-carboxylic acid Traditional Name: 2-(tetrahydropyran-2-yloxymethyl)-1-(3-thioxocyclohexa-1,5-dien-1-yl)pyrrolidine-3-carboxylic acid Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2C(CCN2C3=CC(=S)CC=C3)C(=O)O

Isomeric SMILES

C1CCOC(C1)OCC2C(CCN2C3=CC(=S)CC=C3)C(=O)O

InChI

InChI=1S/C17H23NO4S/c19-17(20)14-7-8-18(12-4-3-5-13(23)10-12)15(14)11-22-16-6-1-2-9-21-16/h3-4,10,14-16H,1-2,5-9,11H2,(H,19,20)