ethyl 2-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]ethyl]thio]acetic acid ethyl ester Formula: C13H18N4O5S MolecularWeight: 342.37082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NCCNC1=NC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSCC(=O)NCCNC1=NC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O5S/c1-2-22-13(19)9-23-8-12(18)15-6-5-14-11-4-3-10(7-16-11)17(20)21/h3-4,7H,2,5-6,8-9H2,1H3,(H,14,16)(H,15,18)