tert-butyl (2S)-1-(2-sulfanylphenyl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-(2-sulfanylphenyl)carbonylpyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-(2-sulfanylbenzoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2-mercaptophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-(2-sulfanylbenzoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-mercaptobenzoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)C2=CC=CC=C2S

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)C2=CC=CC=C2S

InChI

InChI=1S/C16H21NO3S/c1-16(2,3)20-15(19)12-8-6-10-17(12)14(18)11-7-4-5-9-13(11)21/h4-5,7,9,12,21H,6,8,10H2,1-3H3/t12-/m0/s1