2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]benzoate IUPAC Name: 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]benzoate Formula: C16H20NO3S- MolecularWeight: 306.3999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C16H21NO3S/c18-15(17-10-12-6-2-1-3-7-12)11-21-14-9-5-4-8-13(14)16(19)20/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,17,18)(H,19,20)/p-1