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

Systemtic Name: tert-butyl 2-chloranyl-2-[2-oxidanylidene-4-prop-2-ynylsulfanyl-3-[(triphenylmethyl)amino]azetidin-1-yl]ethanoate Openeye Name: tert-butyl 2-chloro-2-[2-oxo-4-prop-2-ynylsulfanyl-3-(tritylamino)azetidin-1-yl]acetate CAS Name: 2-chloro-2-[2-oxo-4-(prop-2-ynylthio)-3-[(triphenylmethyl)amino]-1-azetidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-chloro-2-[2-oxo-4-prop-2-ynylsulfanyl-3-(tritylamino)azetidin-1-yl]acetate Traditional Name: 2-chloro-2-[2-keto-4-(propargylthio)-3-(tritylamino)azetidin-1-yl]acetic acid tert-butyl ester Formula: C31H31ClN2O3S MolecularWeight: 547.10744

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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#C)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#C)Cl

InChI

InChI=1S/C31H31ClN2O3S/c1-5-21-38-28-25(27(35)34(28)26(32)29(36)37-30(2,3)4)33-31(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h1,6-20,25-26,28,33H,21H2,2-4H3