ethyl 2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylethanoate

Systemtic Name: ethyl 2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylethanoate Openeye Name: ethyl 2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylacetate CAS Name: 2-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanylacetate Traditional Name: 2-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]acetic acid ethyl ester Formula: C14H18N2O6S2 MolecularWeight: 374.43252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2

InChI

InChI=1S/C14H18N2O6S2/c1-2-22-14(17)10-23-12-6-5-11(16(18)19)9-13(12)24(20,21)15-7-3-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3