ethyl 2-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]acetic acid ethyl ester Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C

InChI

InChI=1S/C13H16N2O5S/c1-3-20-13(17)8-21-7-12(16)14-11-6-10(15(18)19)5-4-9(11)2/h4-6H,3,7-8H2,1-2H3,(H,14,16)