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

Systemtic Name: [4-[1-methoxy-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-1-oxidanylidene-propan-2-yl]phenyl] butanoate Openeye Name: [4-[1-hydroxy-2-methoxy-1-[(2-nitrophenyl)sulfanylmethyl]-2-oxo-ethyl]phenyl] butanoate CAS Name: butanoic acid [4-[2-hydroxy-1-methoxy-3-[(2-nitrophenyl)thio]-1-oxopropan-2-yl]phenyl] ester IUPAC Name: [4-[2-hydroxy-1-methoxy-3-(2-nitrophenyl)sulfanyl-1-oxopropan-2-yl]phenyl] butanoate Traditional Name: butyric acid [4-[1-hydroxy-2-keto-2-methoxy-1-[[(2-nitrophenyl)thio]methyl]ethyl]phenyl] ester Formula: C20H21NO7S MolecularWeight: 419.44824

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO7S/c1-3-6-18(22)28-15-11-9-14(10-12-15)20(24,19(23)27-2)13-29-17-8-5-4-7-16(17)21(25)26/h4-5,7-12,24H,3,6,13H2,1-2H3