methyl 2-[4-oxidanylidene-3-[(triphenylmethyl)amino]azetidin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-3-[(triphenylmethyl)amino]azetidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[4-oxo-3-(tritylamino)azetidin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-3-[(triphenylmethyl)amino]-2-azetidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-3-(tritylamino)azetidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(tritylamino)azetidin-2-yl]thio]acetic acid methyl ester Formula: C25H24N2O3S MolecularWeight: 432.53466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1C(C(=O)N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CSC1C(C(=O)N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3S/c1-30-21(28)17-31-24-22(23(29)26-24)27-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,22,24,27H,17H2,1H3,(H,26,29)