methyl 3-[2-(3-azanylpyridin-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(3-azanylpyridin-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(3-amino-2-pyridyl)sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(3-amino-2-pyridinyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(3-aminopyridin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(3-amino-2-pyridyl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C13H13N3O3S2 MolecularWeight: 323.39062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=C(C=CC=N2)N

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=C(C=CC=N2)N

InChI

InChI=1S/C13H13N3O3S2/c1-19-13(18)11-9(4-6-20-11)16-10(17)7-21-12-8(14)3-2-5-15-12/h2-6H,7,14H2,1H3,(H,16,17)