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

Systemtic Name: ethyl 4-cyano-3-methyl-5-(2-pyridin-2-ylsulfanylethanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(2-pyridylsulfanyl)acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(2-pyridin-2-ylsulfanylacetyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(2-pyridylthio)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=CC=CC=N2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=CC=CC=N2)C#N)C

InChI

InChI=1S/C16H15N3O3S2/c1-3-22-16(21)14-10(2)11(8-17)15(24-14)19-12(20)9-23-13-6-4-5-7-18-13/h4-7H,3,9H2,1-2H3,(H,19,20)