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

Systemtic Name: tert-butyl 2-oxidanyl-2-[2-oxidanylidene-4-(4-phenylbut-2-ynylsulfanyl)-3-[(triphenylmethyl)amino]azetidin-1-yl]ethanoate Openeye Name: tert-butyl 2-hydroxy-2-[2-oxo-4-(4-phenylbut-2-ynylsulfanyl)-3-(tritylamino)azetidin-1-yl]acetate CAS Name: 2-hydroxy-2-[2-oxo-4-(4-phenylbut-2-ynylthio)-3-[(triphenylmethyl)amino]-1-azetidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-hydroxy-2-[2-oxo-4-(4-phenylbut-2-ynylsulfanyl)-3-(tritylamino)azetidin-1-yl]acetate Traditional Name: 2-hydroxy-2-[2-keto-4-(4-phenylbut-2-ynylthio)-3-(tritylamino)azetidin-1-yl]acetic acid tert-butyl ester Formula: C38H38N2O4S MolecularWeight: 618.78432

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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#CCC5=CC=CC=C5)O

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#CCC5=CC=CC=C5)O

InChI

InChI=1S/C38H38N2O4S/c1-37(2,3)44-36(43)34(42)40-33(41)32(35(40)45-27-17-16-20-28-18-8-4-9-19-28)39-38(29-21-10-5-11-22-29,30-23-12-6-13-24-30)31-25-14-7-15-26-31/h4-15,18-19,21-26,32,34-35,39,42H,20,27H2,1-3H3