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

Systemtic Name: ethyl 2-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]thio]acetic acid ethyl ester Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6S/c1-3-21-13(17)8-22-7-12(16)14-10-6-9(15(18)19)4-5-11(10)20-2/h4-6H,3,7-8H2,1-2H3,(H,14,16)