methyl 3-[(3-methoxy-3-oxidanylidene-propyl)sulfanyl-(3-nitrophenyl)methyl]sulfanylpropanoate

Systemtic Name: methyl 3-[(3-methoxy-3-oxidanylidene-propyl)sulfanyl-(3-nitrophenyl)methyl]sulfanylpropanoate Openeye Name: methyl 3-[(3-methoxy-3-oxo-propyl)sulfanyl-(3-nitrophenyl)methyl]sulfanylpropanoate CAS Name: 3-[[[(3-methoxy-3-oxopropyl)thio]-(3-nitrophenyl)methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-methoxy-3-oxopropyl)sulfanyl-(3-nitrophenyl)methyl]sulfanylpropanoate Traditional Name: 3-[[[(3-keto-3-methoxy-propyl)thio]-(3-nitrophenyl)methyl]thio]propionic acid methyl ester Formula: C15H19NO6S2 MolecularWeight: 373.44446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(C1=CC(=CC=C1)[N+](=O)[O-])SCCC(=O)OC

Isomeric SMILES

COC(=O)CCSC(C1=CC(=CC=C1)[N+](=O)[O-])SCCC(=O)OC

InChI

InChI=1S/C15H19NO6S2/c1-21-13(17)6-8-23-15(24-9-7-14(18)22-2)11-4-3-5-12(10-11)16(19)20/h3-5,10,15H,6-9H2,1-2H3