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

Systemtic Name: (4-nitrophenyl)methyl 2-[3-(aminocarbonylamino)-2-chloranylsulfinyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-(2-chlorosulfinyl-4-oxo-3-ureido-azetidin-1-yl)-3-methyl-but-3-enoate CAS Name: 2-[3-(carbamoylamino)-2-chlorosulfinyl-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-(carbamoylamino)-2-chlorosulfinyl-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-(2-chlorosulfinyl-4-keto-3-ureido-azetidin-1-yl)-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C16H17ClN4O7S MolecularWeight: 444.84678

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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)N)S(=O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O7S/c1-8(2)12(20-13(22)11(19-16(18)24)14(20)29(17)27)15(23)28-7-9-3-5-10(6-4-9)21(25)26/h3-6,11-12,14H,1,7H2,2H3,(H3,18,19,24)