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

Systemtic Name: (4-methoxyphenyl)methyl 2-[3-(butanoylamino)-2-chloranylsulfinyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: (4-methoxyphenyl)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-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)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 p-anisyl ester Formula: C20H25ClN2O6S MolecularWeight: 456.9403

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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)OC)S(=O)Cl

Isomeric SMILES

CCCC(=O)NC1C(N(C1=O)C(C(=C)C)C(=O)OCC2=CC=C(C=C2)OC)S(=O)Cl

InChI

InChI=1S/C20H25ClN2O6S/c1-5-6-15(24)22-16-18(25)23(19(16)30(21)27)17(12(2)3)20(26)29-11-13-7-9-14(28-4)10-8-13/h7-10,16-17,19H,2,5-6,11H2,1,3-4H3,(H,22,24)