methyl (2S)-1-[(phenylmethyl)carbamothioyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(phenylmethyl)carbamothioyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-(benzylcarbamothioyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[(phenylmethyl)amino]-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(benzylcarbamothioyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(benzylthiocarbamoyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=S)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O2S/c1-18-13(17)12-8-5-9-16(12)14(19)15-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,15,19)/t12-/m0/s1