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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CSC2=NC=C(C=C2)N)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)CSC2=NC=C(C=C2)N)C(=O)OC

InChI

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