methyl 3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylpropanoate Openeye Name: methyl 3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylpropanoate CAS Name: 3-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanylpropanoate Traditional Name: 3-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]propionic acid methyl ester Formula: C14H18N2O6S2 MolecularWeight: 374.43252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2

InChI

InChI=1S/C14H18N2O6S2/c1-22-14(17)6-9-23-12-5-4-11(16(18)19)10-13(12)24(20,21)15-7-2-3-8-15/h4-5,10H,2-3,6-9H2,1H3