(2-azanyl-2-oxidanylidene-ethyl) 2-[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thio]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[cyclohexyl(methyl)amino]-2-keto-ethyl]thio]benzoic acid (2-amino-2-keto-ethyl) ester Formula: C18H24N2O4S MolecularWeight: 364.45916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CSC2=CC=CC=C2C(=O)OCC(=O)N

Isomeric SMILES

CN(C1CCCCC1)C(=O)CSC2=CC=CC=C2C(=O)OCC(=O)N

InChI

InChI=1S/C18H24N2O4S/c1-20(13-7-3-2-4-8-13)17(22)12-25-15-10-6-5-9-14(15)18(23)24-11-16(19)21/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H2,19,21)