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

Systemtic Name: (4-nitrophenyl)methyl 2-[3-(butanoylamino)-2-chloranylsulfinyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-[3-(butanoylamino)-2-chlorosulfinyl-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-chlorosulfinyl-4-oxo-3-(1-oxobutylamino)-1-azetidinyl]-3-methyl-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-(butanoylamino)-2-chlorosulfinyl-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-(3-butyramido-2-chlorosulfinyl-4-keto-azetidin-1-yl)-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C19H22ClN3O7S MolecularWeight: 471.91188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1C(N(C1=O)C(C(=C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)Cl

Isomeric SMILES

CCCC(=O)NC1C(N(C1=O)C(C(=C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)Cl

InChI

InChI=1S/C19H22ClN3O7S/c1-4-5-14(24)21-15-17(25)22(18(15)31(20)29)16(11(2)3)19(26)30-10-12-6-8-13(9-7-12)23(27)28/h6-9,15-16,18H,2,4-5,10H2,1,3H3,(H,21,24)