ethyl 4-(2-chlorophenyl)-2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-2-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H22ClN3O4S2 MolecularWeight: 492.01078

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3Cl)C(=O)OCC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3Cl)C(=O)OCC

InChI

InChI=1S/C22H22ClN3O4S2/c1-3-7-13-10-17(27)26-22(24-13)32-12-18(28)25-20-19(21(29)30-4-2)15(11-31-20)14-8-5-6-9-16(14)23/h5-6,8-11H,3-4,7,12H2,1-2H3,(H,25,28)(H,24,26,27)