ethyl 2-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=C(C=CC(=C1C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=C(C=CC(=C1C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O5S/c1-4-21-13(18)8-22-7-12(17)15-14-10(3)9(2)5-6-11(14)16(19)20/h5-6H,4,7-8H2,1-3H3,(H,15,17)