(4R)-N-methyl-N-[(4-nitrophenyl)methyl]-2-oxidanylidene-4-(pyrimidin-2-ylsulfanylmethyl)azetidine-1-carboxamide

Systemtic Name: (4R)-N-methyl-N-[(4-nitrophenyl)methyl]-2-oxidanylidene-4-(pyrimidin-2-ylsulfanylmethyl)azetidine-1-carboxamide Openeye Name: (4R)-N-methyl-N-[(4-nitrophenyl)methyl]-2-oxo-4-(pyrimidin-2-ylsulfanylmethyl)azetidine-1-carboxamide CAS Name: (4R)-N-methyl-N-[(4-nitrophenyl)methyl]-2-oxo-4-[(2-pyrimidinylthio)methyl]-1-azetidinecarboxamide IUPAC Name: (4R)-N-methyl-N-[(4-nitrophenyl)methyl]-2-oxo-4-(pyrimidin-2-ylsulfanylmethyl)azetidine-1-carboxamide Traditional Name: (4R)-2-keto-N-methyl-N-(4-nitrobenzyl)-4-[(2-pyrimidylthio)methyl]azetidine-1-carboxamide Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2C(CC2=O)CSC3=NC=CC=N3

Isomeric SMILES

CN(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2[C@H](CC2=O)CSC3=NC=CC=N3

InChI

InChI=1S/C17H17N5O4S/c1-20(10-12-3-5-13(6-4-12)22(25)26)17(24)21-14(9-15(21)23)11-27-16-18-7-2-8-19-16/h2-8,14H,9-11H2,1H3/t14-/m1/s1