ethyl 4-methyl-2-[(phenylmethyl)-(2-pyrimidin-2-ylsulfanylethanoyl)amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(phenylmethyl)-(2-pyrimidin-2-ylsulfanylethanoyl)amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[benzyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-4-methyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]-(phenylmethyl)amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[benzyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[benzyl-[2-(2-pyrimidylthio)acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H20N4O3S2 MolecularWeight: 428.5278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)CSC3=NC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)CSC3=NC=CC=N3)C

InChI

InChI=1S/C20H20N4O3S2/c1-3-27-18(26)17-14(2)23-20(29-17)24(12-15-8-5-4-6-9-15)16(25)13-28-19-21-10-7-11-22-19/h4-11H,3,12-13H2,1-2H3