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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1C(NC1=O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CN(C=N5)C

Isomeric SMILES

CC(=O)OC(C1C(NC1=O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CN(C=N5)C

InChI

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