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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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