2-[2-oxidanylidene-4-[(triphenylmethyl)amino]azetidin-3-yl]sulfanylethyl ethanoate

Systemtic Name: 2-[2-oxidanylidene-4-[(triphenylmethyl)amino]azetidin-3-yl]sulfanylethyl ethanoate Openeye Name: 2-[2-oxo-4-(tritylamino)azetidin-3-yl]sulfanylethyl acetate CAS Name: acetic acid 2-[[2-oxo-4-[(triphenylmethyl)amino]-3-azetidinyl]thio]ethyl ester IUPAC Name: 2-[2-oxo-4-(tritylamino)azetidin-3-yl]sulfanylethyl acetate Traditional Name: acetic acid 2-[[2-keto-4-(tritylamino)azetidin-3-yl]thio]ethyl ester Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1C(NC1=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OCCSC1C(NC1=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O3S/c1-19(29)31-17-18-32-23-24(27-25(23)30)28-26(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23-24,28H,17-18H2,1H3,(H,27,30)