[1-[(1-methylimidazol-4-yl)methyl]-2-oxidanylidene-4-(triphenylmethyl)sulfanyl-azetidin-3-yl] ethanoate

Systemtic Name: [1-[(1-methylimidazol-4-yl)methyl]-2-oxidanylidene-4-(triphenylmethyl)sulfanyl-azetidin-3-yl] ethanoate Openeye Name: [1-[(1-methylimidazol-4-yl)methyl]-2-oxo-4-tritylsulfanyl-azetidin-3-yl] acetate CAS Name: acetic acid [1-[(1-methyl-4-imidazolyl)methyl]-2-oxo-4-[(triphenylmethyl)thio]-3-azetidinyl] ester IUPAC Name: [1-[(1-methylimidazol-4-yl)methyl]-2-oxo-4-tritylsulfanylazetidin-3-yl] acetate Traditional Name: acetic acid [2-keto-1-[(1-methylimidazol-4-yl)methyl]-4-(tritylthio)azetidin-3-yl] ester Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(N(C1=O)CC2=CN(C=N2)C)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)OC1C(N(C1=O)CC2=CN(C=N2)C)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O3S/c1-21(33)35-26-27(34)32(19-25-18-31(2)20-30-25)28(26)36-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-18,20,26,28H,19H2,1-2H3