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

Systemtic Name: methyl 5-methyl-4-phenyl-2-(2-pyrimidin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[2-(2-pyrimidylthio)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CSC2=NC=CC=N2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CSC2=NC=CC=N2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O3S2/c1-12-15(13-7-4-3-5-8-13)16(18(24)25-2)17(27-12)22-14(23)11-26-19-20-9-6-10-21-19/h3-10H,11H2,1-2H3,(H,22,23)