methyl 3-[(3-azanylpyridin-4-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[(3-azanylpyridin-4-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(3-amino-4-pyridyl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(3-amino-4-pyridinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-aminopyridin-4-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(3-amino-4-pyridyl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=C(C=NC=C2)N

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=C(C=NC=C2)N

InChI

InChI=1S/C12H12N2O3S/c1-16-12(15)11-8(3-5-17-11)7-18-10-2-4-14-6-9(10)13/h2-6H,7,13H2,1H3