[4-[1-ethoxy-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-1-oxidanylidene-propan-2-yl]phenyl] butanoate

Systemtic Name: [4-[1-ethoxy-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-1-oxidanylidene-propan-2-yl]phenyl] butanoate Openeye Name: [4-[2-ethoxy-1-hydroxy-1-[(2-nitrophenyl)sulfanylmethyl]-2-oxo-ethyl]phenyl] butanoate CAS Name: butanoic acid [4-[1-ethoxy-2-hydroxy-3-[(2-nitrophenyl)thio]-1-oxopropan-2-yl]phenyl] ester IUPAC Name: [4-[1-ethoxy-2-hydroxy-3-(2-nitrophenyl)sulfanyl-1-oxopropan-2-yl]phenyl] butanoate Traditional Name: butyric acid [4-[2-ethoxy-1-hydroxy-2-keto-1-[[(2-nitrophenyl)thio]methyl]ethyl]phenyl] ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)C(CSC2=CC=CC=C2[N+](=O)[O-])(C(=O)OCC)O

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)C(CSC2=CC=CC=C2[N+](=O)[O-])(C(=O)OCC)O

InChI

InChI=1S/C21H23NO7S/c1-3-7-19(23)29-16-12-10-15(11-13-16)21(25,20(24)28-4-2)14-30-18-9-6-5-8-17(18)22(26)27/h5-6,8-13,25H,3-4,7,14H2,1-2H3