prop-2-enyl (2R,4S)-4-ethanoylsulfanyl-2-[4-[(prop-2-enoxycarbonylamino)methyl]phenyl]pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl (2R,4S)-4-ethanoylsulfanyl-2-[4-[(prop-2-enoxycarbonylamino)methyl]phenyl]pyrrolidine-1-carboxylate Openeye Name: allyl (2R,4S)-4-acetylsulfanyl-2-[4-[(allyloxycarbonylamino)methyl]phenyl]pyrrolidine-1-carboxylate CAS Name: (2R,4S)-4-(acetylthio)-2-[4-[[[oxo(prop-2-enoxy)methyl]amino]methyl]phenyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2R,4S)-4-acetylsulfanyl-2-[4-[(prop-2-enoxycarbonylamino)methyl]phenyl]pyrrolidine-1-carboxylate Traditional Name: (2R,4S)-4-(acetylthio)-2-[4-[(allyloxycarbonylamino)methyl]phenyl]pyrrolidine-1-carboxylic acid allyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC=C)C2=CC=C(C=C2)CNC(=O)OCC=C

Isomeric SMILES

CC(=O)S[C@H]1C[C@@H](N(C1)C(=O)OCC=C)C2=CC=C(C=C2)CNC(=O)OCC=C

InChI

InChI=1S/C21H26N2O5S/c1-4-10-27-20(25)22-13-16-6-8-17(9-7-16)19-12-18(29-15(3)24)14-23(19)21(26)28-11-5-2/h4-9,18-19H,1-2,10-14H2,3H3,(H,22,25)/t18-,19+/m0/s1