ethyl 6-(phenylmethyl)-2-(2-pyrimidin-2-ylsulfanylethanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 6-(phenylmethyl)-2-(2-pyrimidin-2-ylsulfanylethanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-benzyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-benzyl-2-[[2-(2-pyrimidylthio)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C23H24N4O3S2 MolecularWeight: 468.59166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)CSC4=NC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C23H24N4O3S2/c1-2-30-22(29)20-17-9-12-27(13-16-7-4-3-5-8-16)14-18(17)32-21(20)26-19(28)15-31-23-24-10-6-11-25-23/h3-8,10-11H,2,9,12-15H2,1H3,(H,26,28)