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

Systemtic Name: tert-butyl 2-chloranyl-2-[2-(3-iodanylprop-2-ynylsulfanyl)-4-oxidanylidene-3-[(triphenylmethyl)amino]azetidin-1-yl]ethanoate Openeye Name: tert-butyl 2-chloro-2-[2-(3-iodoprop-2-ynylsulfanyl)-4-oxo-3-(tritylamino)azetidin-1-yl]acetate CAS Name: 2-chloro-2-[2-(3-iodoprop-2-ynylthio)-4-oxo-3-[(triphenylmethyl)amino]-1-azetidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-chloro-2-[2-(3-iodoprop-2-ynylsulfanyl)-4-oxo-3-(tritylamino)azetidin-1-yl]acetate Traditional Name: 2-chloro-2-[2-(3-iodoprop-2-ynylthio)-4-keto-3-(tritylamino)azetidin-1-yl]acetic acid tert-butyl ester Formula: C31H30ClIN2O3S MolecularWeight: 673.00397

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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#CI)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#CI)Cl

InChI

InChI=1S/C31H30ClIN2O3S/c1-30(2,3)38-29(37)26(32)35-27(36)25(28(35)39-21-13-20-33)34-31(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24/h4-12,14-19,25-26,28,34H,21H2,1-3H3