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

Systemtic Name: [(2-methyl-1,3-oxazol-4-yl)-[2-oxidanylidene-4-(triphenylmethyl)sulfanyl-azetidin-3-yl]methyl] ethanoate Openeye Name: [(2-methyloxazol-4-yl)-(2-oxo-4-tritylsulfanyl-azetidin-3-yl)methyl] acetate CAS Name: acetic acid [(2-methyl-4-oxazolyl)-[2-oxo-4-[(triphenylmethyl)thio]-3-azetidinyl]methyl] ester IUPAC Name: [(2-methyl-1,3-oxazol-4-yl)-(2-oxo-4-tritylsulfanylazetidin-3-yl)methyl] acetate Traditional Name: acetic acid [[2-keto-4-(tritylthio)azetidin-3-yl]-(2-methyloxazol-4-yl)methyl] ester Formula: C29H26N2O4S MolecularWeight: 498.59274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CO1)C(C2C(NC2=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC(=O)C

Isomeric SMILES

CC1=NC(=CO1)C(C2C(NC2=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC(=O)C

InChI

InChI=1S/C29H26N2O4S/c1-19-30-24(18-34-19)26(35-20(2)32)25-27(33)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/h3-18,25-26,28H,1-2H3,(H,31,33)