ethyl 4-(2-methylpropyl)-2-(2-pyrimidin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropyl)-2-(2-pyrimidin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[2-(2-pyrimidylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=NC=CC=N2

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C17H21N3O3S2/c1-4-23-16(22)14-12(8-11(2)3)9-24-15(14)20-13(21)10-25-17-18-6-5-7-19-17/h5-7,9,11H,4,8,10H2,1-3H3,(H,20,21)