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

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-(2-pyrimidin-2-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-4-methyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-4-methyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-(2-pyrimidylthio)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C14H14N4O4S2 MolecularWeight: 366.41536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC=CC=N2)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC=CC=N2)C(=O)N

InChI

InChI=1S/C14H14N4O4S2/c1-7-9(13(21)22-2)12(24-10(7)11(15)20)18-8(19)6-23-14-16-4-3-5-17-14/h3-5H,6H2,1-2H3,(H2,15,20)(H,18,19)