O-methyl N-[[(5S)-3-[4-[(E)-2-cyanoprop-1-enyl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]carbamothioate

Systemtic Name: O-methyl N-[[(5S)-3-[4-[(E)-2-cyanoprop-1-enyl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]carbamothioate Openeye Name: O-methyl N-[[(5S)-3-[4-[(E)-2-cyanoprop-1-enyl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]carbamothioate CAS Name: N-[[(5S)-3-[4-[(E)-2-cyanoprop-1-enyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[[(5S)-3-[4-[(E)-2-cyanoprop-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate Traditional Name: N-[[(5S)-3-[4-[(E)-2-cyanoprop-1-enyl]phenyl]-2-keto-oxazolidin-5-yl]methyl]thiocarbamic acid O-methyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)N2CC(OC2=O)CNC(=S)OC)C#N

Isomeric SMILES

C/C(=C\C1=CC=C(C=C1)N2C[C@@H](OC2=O)CNC(=S)OC)/C#N

InChI

InChI=1S/C16H17N3O3S/c1-11(8-17)7-12-3-5-13(6-4-12)19-10-14(22-16(19)20)9-18-15(23)21-2/h3-7,14H,9-10H2,1-2H3,(H,18,23)/b11-7+/t14-/m0/s1