(phenylmethyl) 2-[2-(3-iodanylprop-2-ynylsulfanyl)-4-oxidanylidene-3-[(triphenylmethyl)amino]azetidin-1-yl]-3-methyl-but-2-enoate

Systemtic Name: (phenylmethyl) 2-[2-(3-iodanylprop-2-ynylsulfanyl)-4-oxidanylidene-3-[(triphenylmethyl)amino]azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: benzyl 2-[2-(3-iodoprop-2-ynylsulfanyl)-4-oxo-3-(tritylamino)azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[2-(3-iodoprop-2-ynylthio)-4-oxo-3-[(triphenylmethyl)amino]-1-azetidinyl]-3-methyl-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(3-iodoprop-2-ynylsulfanyl)-4-oxo-3-(tritylamino)azetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[2-(3-iodoprop-2-ynylthio)-4-keto-3-(tritylamino)azetidin-1-yl]-3-methyl-but-2-enoic acid benzyl ester Formula: C37H33IN2O3S MolecularWeight: 712.63899

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SCC#CI)C

Isomeric SMILES

CC(=C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SCC#CI)C

InChI

InChI=1S/C37H33IN2O3S/c1-27(2)33(36(42)43-26-28-16-7-3-8-17-28)40-34(41)32(35(40)44-25-15-24-38)39-37(29-18-9-4-10-19-29,30-20-11-5-12-21-30)31-22-13-6-14-23-31/h3-14,16-23,32,35,39H,25-26H2,1-2H3