ethyl 2-[1-(4-methylphenyl)-2-nitro-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[1-(4-methylphenyl)-2-nitro-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-nitro-1-(p-tolyl)ethyl]sulfanylacetate CAS Name: 2-[[1-(4-methylphenyl)-2-nitroethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-methylphenyl)-2-nitroethyl]sulfanylacetate Traditional Name: 2-[[2-nitro-1-(p-tolyl)ethyl]thio]acetic acid ethyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(C[N+](=O)[O-])C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)CSC(C[N+](=O)[O-])C1=CC=C(C=C1)C

InChI

InChI=1S/C13H17NO4S/c1-3-18-13(15)9-19-12(8-14(16)17)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3