cyclohexyl 2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: cyclohexyl 2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetic acid cyclohexyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O3S/c21-16-11-15(13-7-3-1-4-8-13)19-18(20-16)24-12-17(22)23-14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,19,20,21)