methyl 2-chloranyl-2-[2-oxidanylidene-4-(3-phenylprop-2-ynylsulfanyl)-3-[(triphenylmethyl)amino]azetidin-1-yl]ethanoate

Systemtic Name: methyl 2-chloranyl-2-[2-oxidanylidene-4-(3-phenylprop-2-ynylsulfanyl)-3-[(triphenylmethyl)amino]azetidin-1-yl]ethanoate Openeye Name: methyl 2-chloro-2-[2-oxo-4-(3-phenylprop-2-ynylsulfanyl)-3-(tritylamino)azetidin-1-yl]acetate CAS Name: 2-chloro-2-[2-oxo-4-(3-phenylprop-2-ynylthio)-3-[(triphenylmethyl)amino]-1-azetidinyl]acetic acid methyl ester IUPAC Name: methyl 2-chloro-2-[2-oxo-4-(3-phenylprop-2-ynylsulfanyl)-3-(tritylamino)azetidin-1-yl]acetate Traditional Name: 2-chloro-2-[2-keto-4-(3-phenylprop-2-ynylthio)-3-(tritylamino)azetidin-1-yl]acetic acid methyl ester Formula: C34H29ClN2O3S MolecularWeight: 581.12366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H29ClN2O3S/c1-40-33(39)30(35)37-31(38)29(32(37)41-24-14-17-25-15-6-2-7-16-25)36-34(26-18-8-3-9-19-26,27-20-10-4-11-21-27)28-22-12-5-13-23-28/h2-13,15-16,18-23,29-30,32,36H,24H2,1H3