(2-sulfanylidene-1,3-diazinan-5-yl) 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: (2-sulfanylidene-1,3-diazinan-5-yl) 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (2-thioxohexahydropyrimidin-5-yl) 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid (2-sulfanylidene-1,3-diazinan-5-yl) ester IUPAC Name: (2-sulfanylidene-1,3-diazinan-5-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid (2-thioxohexahydropyrimidin-5-yl) ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)OC3CNC(=S)NC3)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)OC3CNC(=S)NC3)O

InChI

InChI=1S/C18H24N2O3S/c21-16(23-15-11-19-17(24)20-12-15)18(22,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14-15,22H,2,5-6,9-12H2,(H2,19,20,24)