tert-butyl 2-[2-but-2-ynylsulfanyl-4-oxidanylidene-3-[(triphenylmethyl)amino]azetidin-1-yl]-2-chloranyl-ethanoate

Systemtic Name: tert-butyl 2-[2-but-2-ynylsulfanyl-4-oxidanylidene-3-[(triphenylmethyl)amino]azetidin-1-yl]-2-chloranyl-ethanoate Openeye Name: tert-butyl 2-[2-but-2-ynylsulfanyl-4-oxo-3-(tritylamino)azetidin-1-yl]-2-chloro-acetate CAS Name: 2-[2-(but-2-ynylthio)-4-oxo-3-[(triphenylmethyl)amino]-1-azetidinyl]-2-chloroacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-but-2-ynylsulfanyl-4-oxo-3-(tritylamino)azetidin-1-yl]-2-chloroacetate Traditional Name: 2-[2-(but-2-ynylthio)-4-keto-3-(tritylamino)azetidin-1-yl]-2-chloro-acetic acid tert-butyl ester Formula: C32H33ClN2O3S MolecularWeight: 561.13402

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCSC1C(C(=O)N1C(C(=O)OC(C)(C)C)Cl)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC#CCSC1C(C(=O)N1C(C(=O)OC(C)(C)C)Cl)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H33ClN2O3S/c1-5-6-22-39-29-26(28(36)35(29)27(33)30(37)38-31(2,3)4)34-32(23-16-10-7-11-17-23,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21,26-27,29,34H,22H2,1-4H3