ethyl 4-methyl-5-(methylcarbamoyl)-2-(2-pyridin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-(2-pyridin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-(2-pyridylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-pyridin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-(methylcarbamoyl)-2-[[2-(2-pyridylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CSC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CSC2=CC=CC=N2

InChI

InChI=1S/C17H19N3O4S2/c1-4-24-17(23)13-10(2)14(15(22)18-3)26-16(13)20-11(21)9-25-12-7-5-6-8-19-12/h5-8H,4,9H2,1-3H3,(H,18,22)(H,20,21)