ethyl 2-ethyl-4-[3-[(5-ethyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)methyl]phenyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-ethyl-4-[3-[(5-ethyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)methyl]phenyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-ethyl-4-[3-[(5-ethyl-4-oxo-2-thioxo-1H-pyrimidin-6-yl)methyl]phenyl]-3-oxo-butanoate CAS Name: 2-ethyl-4-[3-[(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methyl]phenyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[3-[(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methyl]phenyl]-3-oxobutanoate Traditional Name: 2-ethyl-4-[3-[(5-ethyl-4-keto-2-thioxo-1H-pyrimidin-6-yl)methyl]phenyl]-3-keto-butyric acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=S)NC1=O)CC2=CC(=CC=C2)CC(=O)C(CC)C(=O)OCC

Isomeric SMILES

CCC1=C(NC(=S)NC1=O)CC2=CC(=CC=C2)CC(=O)C(CC)C(=O)OCC

InChI

InChI=1S/C21H26N2O4S/c1-4-15-17(22-21(28)23-19(15)25)11-13-8-7-9-14(10-13)12-18(24)16(5-2)20(26)27-6-3/h7-10,16H,4-6,11-12H2,1-3H3,(H2,22,23,25,28)