tert-butyl 2-[2-chloranyl-3-(5-cyanopentanoylamino)-4-oxidanylidene-azetidin-1-yl]-3-(chloromethyl)but-3-enoate

Systemtic Name: tert-butyl 2-[2-chloranyl-3-(5-cyanopentanoylamino)-4-oxidanylidene-azetidin-1-yl]-3-(chloromethyl)but-3-enoate Openeye Name: tert-butyl 2-[2-chloro-3-(5-cyanopentanoylamino)-4-oxo-azetidin-1-yl]-3-(chloromethyl)but-3-enoate CAS Name: 2-[2-chloro-3-[(5-cyano-1-oxopentyl)amino]-4-oxo-1-azetidinyl]-3-(chloromethyl)-3-butenoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-chloro-3-(5-cyanopentanoylamino)-4-oxoazetidin-1-yl]-3-(chloromethyl)but-3-enoate Traditional Name: 2-[2-chloro-3-(5-cyanopentanoylamino)-4-keto-azetidin-1-yl]-3-(chloromethyl)but-3-enoic acid tert-butyl ester Formula: C18H25Cl2N3O4 MolecularWeight: 418.3148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=C)CCl)N1C(C(C1=O)NC(=O)CCCCC#N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=C)CCl)N1C(C(C1=O)NC(=O)CCCCC#N)Cl

InChI

InChI=1S/C18H25Cl2N3O4/c1-11(10-19)14(17(26)27-18(2,3)4)23-15(20)13(16(23)25)22-12(24)8-6-5-7-9-21/h13-15H,1,5-8,10H2,2-4H3,(H,22,24)