ethyl 4-[4-[3,5-bis(chloranyl)phenyl]pyrimidin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-[3,5-bis(chloranyl)phenyl]pyrimidin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-(3,5-dichlorophenyl)pyrimidin-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[4-(3,5-dichlorophenyl)-2-pyrimidinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,5-dichlorophenyl)pyrimidin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[4-(3,5-dichlorophenyl)pyrimidin-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C16H14Cl2N2O3S MolecularWeight: 385.26496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC=CC(=N1)C2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC=CC(=N1)C2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C16H14Cl2N2O3S/c1-2-23-15(22)8-13(21)9-24-16-19-4-3-14(20-16)10-5-11(17)7-12(18)6-10/h3-7H,2,8-9H2,1H3