prop-2-enyl (2S,4S)-2-(imidazol-1-ylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl (2S,4S)-2-(imidazol-1-ylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-(imidazol-1-ylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-(1-imidazolylmethyl)-4-mercapto-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-(imidazol-1-ylmethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-(imidazol-1-ylmethyl)-4-mercapto-pyrrolidine-1-carboxylic acid allyl ester Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1CN2C=CN=C2)S

Isomeric SMILES

C=CCOC(=O)N1C[C@H](C[C@H]1CN2C=CN=C2)S

InChI

InChI=1S/C12H17N3O2S/c1-2-5-17-12(16)15-8-11(18)6-10(15)7-14-4-3-13-9-14/h2-4,9-11,18H,1,5-8H2/t10-,11-/m0/s1