diethyl 5-[[5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[5-chloro-2-(m-tolylmethylsulfanyl)pyrimidine-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[5-chloro-2-[(3-methylphenyl)methylthio]-4-pyrimidinyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[5-chloro-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[5-chloro-2-[(3-methylbenzyl)thio]pyrimidine-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H24ClN3O5S2 MolecularWeight: 534.04746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC(=C3)C

InChI

InChI=1S/C24H24ClN3O5S2/c1-5-32-22(30)17-14(4)19(23(31)33-6-2)35-21(17)28-20(29)18-16(25)11-26-24(27-18)34-12-15-9-7-8-13(3)10-15/h7-11H,5-6,12H2,1-4H3,(H,28,29)