propan-2-yl 2-(5-nitropyridin-2-yl)sulfanylethanoate

Systemtic Name: propan-2-yl 2-(5-nitropyridin-2-yl)sulfanylethanoate Openeye Name: isopropyl 2-[(5-nitro-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(5-nitro-2-pyridinyl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(5-nitropyridin-2-yl)sulfanylacetate Traditional Name: 2-[(5-nitro-2-pyridyl)thio]acetic acid isopropyl ester Formula: C10H12N2O4S MolecularWeight: 256.27828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O4S/c1-7(2)16-10(13)6-17-9-4-3-8(5-11-9)12(14)15/h3-5,7H,6H2,1-2H3