[2-oxidanylidene-1-(1,2-thiazol-5-ylmethyl)-4-(triphenylmethyl)sulfanyl-azetidin-3-yl] ethanoate

Systemtic Name: [2-oxidanylidene-1-(1,2-thiazol-5-ylmethyl)-4-(triphenylmethyl)sulfanyl-azetidin-3-yl] ethanoate Openeye Name: [1-(isothiazol-5-ylmethyl)-2-oxo-4-tritylsulfanyl-azetidin-3-yl] acetate CAS Name: acetic acid [1-(5-isothiazolylmethyl)-2-oxo-4-[(triphenylmethyl)thio]-3-azetidinyl] ester IUPAC Name: [2-oxo-1-(1,2-thiazol-5-ylmethyl)-4-tritylsulfanylazetidin-3-yl] acetate Traditional Name: acetic acid [1-(isothiazol-5-ylmethyl)-2-keto-4-(tritylthio)azetidin-3-yl] ester Formula: C28H24N2O3S2 MolecularWeight: 500.63176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(N(C1=O)CC2=CC=NS2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)OC1C(N(C1=O)CC2=CC=NS2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H24N2O3S2/c1-20(31)33-25-26(32)30(19-24-17-18-29-35-24)27(25)34-28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18,25,27H,19H2,1H3