prop-2-enyl 3-(2-azanylethanoylsulfanyl)-3-[1-(3,5-dinitrophenyl)carbonyloxyethyl]-2-oxidanylidene-azetidine-1-carboxylate

Systemtic Name: prop-2-enyl 3-(2-azanylethanoylsulfanyl)-3-[1-(3,5-dinitrophenyl)carbonyloxyethyl]-2-oxidanylidene-azetidine-1-carboxylate Openeye Name: allyl 3-(2-aminoacetyl)sulfanyl-3-[1-(3,5-dinitrobenzoyl)oxyethyl]-2-oxo-azetidine-1-carboxylate CAS Name: 3-[(2-amino-1-oxoethyl)thio]-3-[1-[(3,5-dinitrophenyl)-oxomethoxy]ethyl]-2-oxo-1-azetidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-(2-aminoacetyl)sulfanyl-3-[1-(3,5-dinitrobenzoyl)oxyethyl]-2-oxoazetidine-1-carboxylate Traditional Name: 3-[1-(3,5-dinitrobenzoyl)oxyethyl]-3-(glycylthio)-2-keto-azetidine-1-carboxylic acid allyl ester Formula: C18H18N4O10S MolecularWeight: 482.42132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CN(C1=O)C(=O)OCC=C)SC(=O)CN)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C1(CN(C1=O)C(=O)OCC=C)SC(=O)CN)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O10S/c1-3-4-31-17(26)20-9-18(16(20)25,33-14(23)8-19)10(2)32-15(24)11-5-12(21(27)28)7-13(6-11)22(29)30/h3,5-7,10H,1,4,8-9,19H2,2H3