prop-2-enyl (2S,4S)-2-[[(4-oxidanylpiperidin-1-yl)carbothioylamino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl (2S,4S)-2-[[(4-oxidanylpiperidin-1-yl)carbothioylamino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-[[(4-hydroxypiperidine-1-carbothioyl)amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[[[(4-hydroxy-1-piperidinyl)-sulfanylidenemethyl]amino]methyl]-4-mercapto-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-[[(4-hydroxypiperidine-1-carbothioyl)amino]methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[[(4-hydroxypiperidine-1-carbothioyl)amino]methyl]-4-mercapto-pyrrolidine-1-carboxylic acid allyl ester Formula: C15H25N3O3S2 MolecularWeight: 359.5073

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1CNC(=S)N2CCC(CC2)O)S

Isomeric SMILES

C=CCOC(=O)N1C[C@H](C[C@H]1CNC(=S)N2CCC(CC2)O)S

InChI

InChI=1S/C15H25N3O3S2/c1-2-7-21-15(20)18-10-13(22)8-11(18)9-16-14(23)17-5-3-12(19)4-6-17/h2,11-13,19,22H,1,3-10H2,(H,16,23)/t11-,13-/m0/s1