ethyl 3-methyl-4-(phenylcarbamoyl)-5-(2-pyrimidin-2-ylsulfanylethanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-4-(phenylcarbamoyl)-5-(2-pyrimidin-2-ylsulfanylethanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-4-(phenylcarbamoyl)-5-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-2-carboxylate CAS Name: 4-[anilino(oxo)methyl]-3-methyl-5-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-(phenylcarbamoyl)-5-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-2-carboxylate Traditional Name: 3-methyl-4-(phenylcarbamoyl)-5-[[2-(2-pyrimidylthio)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC=CC=N2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC=CC=N2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H20N4O4S2/c1-3-29-20(28)17-13(2)16(18(27)24-14-8-5-4-6-9-14)19(31-17)25-15(26)12-30-21-22-10-7-11-23-21/h4-11H,3,12H2,1-2H3,(H,24,27)(H,25,26)