methyl 5-[(3-azanylpyridin-4-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[(3-azanylpyridin-4-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(3-amino-4-pyridyl)sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[(3-amino-4-pyridinyl)thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-aminopyridin-4-yl)sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(3-amino-4-pyridyl)thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=C(C=NC=C2)N)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=C(C=NC=C2)N)C(=O)OC

InChI

InChI=1S/C13H14N2O3S/c1-8-10(13(16)17-2)5-9(18-8)7-19-12-3-4-15-6-11(12)14/h3-6H,7,14H2,1-2H3