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

Systemtic Name: (2-sulfanylidene-1,3-diazinan-5-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (2-thioxohexahydropyrimidin-5-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (2-sulfanylidene-1,3-diazinan-5-yl) ester IUPAC Name: (2-sulfanylidene-1,3-diazinan-5-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (2-thioxohexahydropyrimidin-5-yl) ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CNC(=S)NC3)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CNC(=S)NC3)O

InChI

InChI=1S/C17H22N2O3S/c20-15(22-14-10-18-16(23)19-11-14)17(21,13-8-4-5-9-13)12-6-2-1-3-7-12/h1-3,6-7,13-14,21H,4-5,8-11H2,(H2,18,19,23)