(4-nitrophenyl)methyl 2-[(2R,3R)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-2-yl]sulfinylprop-2-enoate

Systemtic Name: (4-nitrophenyl)methyl 2-[(2R,3R)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-2-yl]sulfinylprop-2-enoate Openeye Name: (4-nitrophenyl)methyl 2-[(2R,3R)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]sulfinylprop-2-enoate CAS Name: 2-[[(2R,3R)-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-2-azetidinyl]sulfinyl]-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2R,3R)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]sulfinylprop-2-enoate Traditional Name: 2-[(2R,3R)-4-keto-3-[(2-phenylacetyl)amino]azetidin-2-yl]sulfinylacrylic acid (4-nitrobenzyl) ester Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])S(=O)C2C(C(=O)N2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])S(=O)[C@@H]2[C@@H](C(=O)N2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O7S/c1-13(21(27)31-12-15-7-9-16(10-8-15)24(28)29)32(30)20-18(19(26)23-20)22-17(25)11-14-5-3-2-4-6-14/h2-10,18,20H,1,11-12H2,(H,22,25)(H,23,26)/t18-,20-,32?/m1/s1