(4-nitrophenyl)methyl 3-[(3-methylsulfanyl-2-oxidanylidene-azetidin-3-yl)amino]-3-oxidanylidene-2-thiophen-3-yl-propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-[(3-methylsulfanyl-2-oxidanylidene-azetidin-3-yl)amino]-3-oxidanylidene-2-thiophen-3-yl-propanoate Openeye Name: (4-nitrophenyl)methyl 3-[(3-methylsulfanyl-2-oxo-azetidin-3-yl)amino]-3-oxo-2-(3-thienyl)propanoate CAS Name: 3-[[3-(methylthio)-2-oxo-3-azetidinyl]amino]-3-oxo-2-(3-thiophenyl)propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-[(3-methylsulfanyl-2-oxoazetidin-3-yl)amino]-3-oxo-2-thiophen-3-ylpropanoate Traditional Name: 3-keto-3-[[2-keto-3-(methylthio)azetidin-3-yl]amino]-2-(3-thienyl)propionic acid (4-nitrobenzyl) ester Formula: C18H17N3O6S2 MolecularWeight: 435.47408

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(CNC1=O)NC(=O)C(C2=CSC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1(CNC1=O)NC(=O)C(C2=CSC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6S2/c1-28-18(10-19-17(18)24)20-15(22)14(12-6-7-29-9-12)16(23)27-8-11-2-4-13(5-3-11)21(25)26/h2-7,9,14H,8,10H2,1H3,(H,19,24)(H,20,22)