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

Systemtic Name: (phenylmethyl) 3-methyl-2-[2-oxidanylidene-4-prop-2-ynylsulfanyl-3-[(triphenylmethyl)amino]azetidin-1-yl]butanoate Openeye Name: benzyl 3-methyl-2-[2-oxo-4-prop-2-ynylsulfanyl-3-(tritylamino)azetidin-1-yl]butanoate CAS Name: 3-methyl-2-[2-oxo-4-(prop-2-ynylthio)-3-[(triphenylmethyl)amino]-1-azetidinyl]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-2-[2-oxo-4-prop-2-ynylsulfanyl-3-(tritylamino)azetidin-1-yl]butanoate Traditional Name: 2-[2-keto-4-(propargylthio)-3-(tritylamino)azetidin-1-yl]-3-methyl-butyric acid benzyl ester Formula: C37H36N2O3S MolecularWeight: 588.75834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)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#C

Isomeric SMILES

CC(C)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#C

InChI

InChI=1S/C37H36N2O3S/c1-4-25-43-35-32(34(40)39(35)33(27(2)3)36(41)42-26-28-17-9-5-10-18-28)38-37(29-19-11-6-12-20-29,30-21-13-7-14-22-30)31-23-15-8-16-24-31/h1,5-24,27,32-33,35,38H,25-26H2,2-3H3