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

Systemtic Name: tert-butyl 2-chloranyl-2-[2-oxidanylidene-4-(4-phenylbut-2-ynylsulfanyl)-3-[(triphenylmethyl)amino]azetidin-1-yl]ethanoate Openeye Name: tert-butyl 2-chloro-2-[2-oxo-4-(4-phenylbut-2-ynylsulfanyl)-3-(tritylamino)azetidin-1-yl]acetate CAS Name: 2-chloro-2-[2-oxo-4-(4-phenylbut-2-ynylthio)-3-[(triphenylmethyl)amino]-1-azetidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-chloro-2-[2-oxo-4-(4-phenylbut-2-ynylsulfanyl)-3-(tritylamino)azetidin-1-yl]acetate Traditional Name: 2-chloro-2-[2-keto-4-(4-phenylbut-2-ynylthio)-3-(tritylamino)azetidin-1-yl]acetic acid tert-butyl ester Formula: C38H37ClN2O3S MolecularWeight: 637.22998

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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)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#CCC5=CC=CC=C5)Cl

InChI

InChI=1S/C38H37ClN2O3S/c1-37(2,3)44-36(43)33(39)41-34(42)32(35(41)45-27-17-16-20-28-18-8-4-9-19-28)40-38(29-21-10-5-11-22-29,30-23-12-6-13-24-30)31-25-14-7-15-26-31/h4-15,18-19,21-26,32-33,35,40H,20,27H2,1-3H3