[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H25NO3S2 MolecularWeight: 379.5367

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C19H25NO3S2/c1-13(17(21)20-16-5-3-2-4-6-16)23-18(22)14-7-9-15(10-8-14)19-24-11-12-25-19/h7-10,13,16,19H,2-6,11-12H2,1H3,(H,20,21)