O-methyl N-[[3-[4-(1-isocyanocyclopropyl)phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]carbamothioate

Systemtic Name: O-methyl N-[[3-[4-(1-isocyanocyclopropyl)phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]carbamothioate Openeye Name: O-methyl N-[[3-[4-(1-isocyanocyclopropyl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]carbamothioate CAS Name: N-[[3-[4-(1-isocyanocyclopropyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[[3-[4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate Traditional Name: N-[[3-[4-(1-isocyanocyclopropyl)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:

COC(=S)NCC1CN(C(=O)O1)C2=CC=C(C=C2)C3(CC3)[N+]#[C-]

Isomeric SMILES

COC(=S)NCC1CN(C(=O)O1)C2=CC=C(C=C2)C3(CC3)[N+]#[C-]

InChI

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