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

Systemtic Name: (phenylmethyl) 3-methyl-2-[2-oxidanylidene-4-(4-phenylbut-2-ynylsulfanyl)-3-[(triphenylmethyl)amino]azetidin-1-yl]but-2-enoate Openeye Name: benzyl 3-methyl-2-[2-oxo-4-(4-phenylbut-2-ynylsulfanyl)-3-(tritylamino)azetidin-1-yl]but-2-enoate CAS Name: 3-methyl-2-[2-oxo-4-(4-phenylbut-2-ynylthio)-3-[(triphenylmethyl)amino]-1-azetidinyl]-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-2-[2-oxo-4-(4-phenylbut-2-ynylsulfanyl)-3-(tritylamino)azetidin-1-yl]but-2-enoate Traditional Name: 2-[2-keto-4-(4-phenylbut-2-ynylthio)-3-(tritylamino)azetidin-1-yl]-3-methyl-but-2-enoic acid benzyl ester Formula: C44H40N2O3S MolecularWeight: 676.865

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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#CCC6=CC=CC=C6)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#CCC6=CC=CC=C6)C

InChI

InChI=1S/C44H40N2O3S/c1-33(2)40(43(48)49-32-35-23-10-4-11-24-35)46-41(47)39(42(46)50-31-19-18-22-34-20-8-3-9-21-34)45-44(36-25-12-5-13-26-36,37-27-14-6-15-28-37)38-29-16-7-17-30-38/h3-17,20-21,23-30,39,42,45H,22,31-32H2,1-2H3