methyl 3-[2-(3-azanylpyridin-4-yl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(3-azanylpyridin-4-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(3-amino-4-pyridyl)sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(3-amino-4-pyridinyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(3-aminopyridin-4-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(3-amino-4-pyridyl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=C(C=NC=C2)N

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=C(C=NC=C2)N

InChI

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