[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C19H25NO3S2/c21-17(20-12-14-4-2-1-3-5-14)13-23-18(22)15-6-8-16(9-7-15)19-24-10-11-25-19/h6-9,14,19H,1-5,10-13H2,(H,20,21)