ethyl 2-(3-nitropyridin-4-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(3-nitropyridin-4-yl)sulfanylethanoate Openeye Name: ethyl 2-[(3-nitro-4-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-nitro-4-pyridinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-nitropyridin-4-yl)sulfanylacetate Traditional Name: 2-[(3-nitro-4-pyridyl)thio]acetic acid ethyl ester Formula: C9H10N2O4S MolecularWeight: 242.2517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=NC=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=NC=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O4S/c1-2-15-9(12)6-16-8-3-4-10-5-7(8)11(13)14/h3-5H,2,6H2,1H3