methyl 3-[[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethanoyl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethanoyl]amino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-oxo-2-(4-pyridylmethylamino)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1,2-dioxo-2-(pyridin-4-ylmethylamino)ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-keto-2-(4-pyridylmethylamino)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C(=O)NCC2=CC=NC=C2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C14H13N3O4S/c1-21-14(20)11-10(4-7-22-11)17-13(19)12(18)16-8-9-2-5-15-6-3-9/h2-7H,8H2,1H3,(H,16,18)(H,17,19)