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

Systemtic Name: tert-butyl 2-chloranyl-2-[2-oxidanylidene-4-(3-pyridin-3-ylprop-2-ynylsulfanyl)-3-[(triphenylmethyl)amino]azetidin-1-yl]ethanoate Openeye Name: tert-butyl 2-chloro-2-[2-oxo-4-[3-(3-pyridyl)prop-2-ynylsulfanyl]-3-(tritylamino)azetidin-1-yl]acetate CAS Name: 2-chloro-2-[2-oxo-4-[3-(3-pyridinyl)prop-2-ynylthio]-3-[(triphenylmethyl)amino]-1-azetidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-chloro-2-[2-oxo-4-(3-pyridin-3-ylprop-2-ynylsulfanyl)-3-(tritylamino)azetidin-1-yl]acetate Traditional Name: 2-chloro-2-[2-keto-4-[3-(3-pyridyl)prop-2-ynylthio]-3-(tritylamino)azetidin-1-yl]acetic acid tert-butyl ester Formula: C36H34ClN3O3S MolecularWeight: 624.19146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(N1C(C(C1=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SCC#CC5=CN=CC=C5)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(N1C(C(C1=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SCC#CC5=CN=CC=C5)Cl

InChI

InChI=1S/C36H34ClN3O3S/c1-35(2,3)43-34(42)31(37)40-32(41)30(33(40)44-24-14-16-26-15-13-23-38-25-26)39-36(27-17-7-4-8-18-27,28-19-9-5-10-20-28)29-21-11-6-12-22-29/h4-13,15,17-23,25,30-31,33,39H,24H2,1-3H3