2-[cyano(ethyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[cyano(ethyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[cyano(ethyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid CAS Name: 2-[[cyano(ethyl)amino]-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[cyano(ethyl)carbamoyl]-4-sulfanylpyrrolidine-1-carboxylic acid Traditional Name: 2-[cyano(ethyl)carbamoyl]-4-mercapto-pyrrolidine-1-carboxylic acid Formula: C9H13N3O3S MolecularWeight: 243.28282

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C#N)C(=O)C1CC(CN1C(=O)O)S

Isomeric SMILES

CCN(C#N)C(=O)C1CC(CN1C(=O)O)S

InChI

InChI=1S/C9H13N3O3S/c1-2-11(5-10)8(13)7-3-6(16)4-12(7)9(14)15/h6-7,16H,2-4H2,1H3,(H,14,15)