tert-butyl 3-(4-methoxyphenyl)-3-(2-nitrophenyl)sulfanyl-2-oxidanylidene-propanoate

Systemtic Name: tert-butyl 3-(4-methoxyphenyl)-3-(2-nitrophenyl)sulfanyl-2-oxidanylidene-propanoate Openeye Name: tert-butyl 3-(4-methoxyphenyl)-3-(2-nitrophenyl)sulfanyl-2-oxo-propanoate CAS Name: 3-(4-methoxyphenyl)-3-[(2-nitrophenyl)thio]-2-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-methoxyphenyl)-3-(2-nitrophenyl)sulfanyl-2-oxopropanoate Traditional Name: 2-keto-3-(4-methoxyphenyl)-3-[(2-nitrophenyl)thio]propionic acid tert-butyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=O)C(C1=CC=C(C=C1)OC)SC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C(=O)C(C1=CC=C(C=C1)OC)SC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H21NO6S/c1-20(2,3)27-19(23)17(22)18(13-9-11-14(26-4)12-10-13)28-16-8-6-5-7-15(16)21(24)25/h5-12,18H,1-4H3