(4-nitrophenyl)methyl 2-[2-chloranylsulfinyl-4-oxidanylidene-3-(2-thiophen-2-ylethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-chloranylsulfinyl-4-oxidanylidene-3-(2-thiophen-2-ylethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-[2-chlorosulfinyl-4-oxo-3-[[2-(2-thienyl)acetyl]amino]azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-chlorosulfinyl-4-oxo-3-[(1-oxo-2-thiophen-2-ylethyl)amino]-1-azetidinyl]-3-methyl-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-chlorosulfinyl-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-chlorosulfinyl-4-keto-3-[[2-(2-thienyl)acetyl]amino]azetidin-1-yl]-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C21H20ClN3O7S2 MolecularWeight: 525.9824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)CC3=CC=CS3)S(=O)Cl

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)CC3=CC=CS3)S(=O)Cl

InChI

InChI=1S/C21H20ClN3O7S2/c1-12(2)18(21(28)32-11-13-5-7-14(8-6-13)25(29)30)24-19(27)17(20(24)34(22)31)23-16(26)10-15-4-3-9-33-15/h3-9,17-18,20H,1,10-11H2,2H3,(H,23,26)