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

Systemtic Name: (phenylmethyl) 2-[2-but-2-ynylsulfanyl-4-oxidanylidene-3-[(triphenylmethyl)amino]azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: benzyl 2-[2-but-2-ynylsulfanyl-4-oxo-3-(tritylamino)azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[2-(but-2-ynylthio)-4-oxo-3-[(triphenylmethyl)amino]-1-azetidinyl]-3-methyl-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-but-2-ynylsulfanyl-4-oxo-3-(tritylamino)azetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[2-(but-2-ynylthio)-4-keto-3-(tritylamino)azetidin-1-yl]-3-methyl-but-2-enoic acid benzyl ester Formula: C38H36N2O3S MolecularWeight: 600.76904

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCSC1C(C(=O)N1C(=C(C)C)C(=O)OCC2=CC=CC=C2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC#CCSC1C(C(=O)N1C(=C(C)C)C(=O)OCC2=CC=CC=C2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C38H36N2O3S/c1-4-5-26-44-36-33(35(41)40(36)34(28(2)3)37(42)43-27-29-18-10-6-11-19-29)39-38(30-20-12-7-13-21-30,31-22-14-8-15-23-31)32-24-16-9-17-25-32/h6-25,33,36,39H,26-27H2,1-3H3