(2S,4R)-4-cyclohexa-1,4-dien-1-yl-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-4-cyclohexa-1,4-dien-1-yl-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-cyclohexa-1,4-dien-1-yl-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-(1-cyclohexa-1,4-dienyl)-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-cyclohexa-1,4-dien-1-yl-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-cyclohexa-1,4-dien-1-yl-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)C2=CCC=CC2

Isomeric SMILES

CC(CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)C2=CCC=CC2

InChI

InChI=1S/C15H21NO3S/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)11-5-3-2-4-6-11/h2-3,6,10,12-13,20H,4-5,7-9H2,1H3,(H,18,19)/t10?,12-,13-/m0/s1