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

Systemtic Name: tert-butyl 2-[2-methylsulfanyl-4-oxidanylidene-3-[(triphenylmethyl)amino]azetidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[2-methylsulfanyl-4-oxo-3-(tritylamino)azetidin-1-yl]acetate CAS Name: 2-[2-(methylthio)-4-oxo-3-[(triphenylmethyl)amino]-1-azetidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-methylsulfanyl-4-oxo-3-(tritylamino)azetidin-1-yl]acetate Traditional Name: 2-[2-keto-4-(methylthio)-3-(tritylamino)azetidin-1-yl]acetic acid tert-butyl ester Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(C(C1=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(C(C1=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC

InChI

InChI=1S/C29H32N2O3S/c1-28(2,3)34-24(32)20-31-26(33)25(27(31)35-4)30-29(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,25,27,30H,20H2,1-4H3