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

Systemtic Name: (phenylmethyl) 3-methyl-2-[2-oxidanylidene-4-(3-phenylprop-2-ynylsulfanyl)-3-[(triphenylmethyl)amino]azetidin-1-yl]but-2-enoate Openeye Name: benzyl 3-methyl-2-[2-oxo-4-(3-phenylprop-2-ynylsulfanyl)-3-(tritylamino)azetidin-1-yl]but-2-enoate CAS Name: 3-methyl-2-[2-oxo-4-(3-phenylprop-2-ynylthio)-3-[(triphenylmethyl)amino]-1-azetidinyl]-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-2-[2-oxo-4-(3-phenylprop-2-ynylsulfanyl)-3-(tritylamino)azetidin-1-yl]but-2-enoate Traditional Name: 2-[2-keto-4-(3-phenylprop-2-ynylthio)-3-(tritylamino)azetidin-1-yl]-3-methyl-but-2-enoic acid benzyl ester Formula: C43H38N2O3S MolecularWeight: 662.83842

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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#CC6=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#CC6=CC=CC=C6)C

InChI

InChI=1S/C43H38N2O3S/c1-32(2)39(42(47)48-31-34-21-10-4-11-22-34)45-40(46)38(41(45)49-30-18-23-33-19-8-3-9-20-33)44-43(35-24-12-5-13-25-35,36-26-14-6-15-27-36)37-28-16-7-17-29-37/h3-17,19-22,24-29,38,41,44H,30-31H2,1-2H3