(4-propan-2-ylphenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4-isopropylphenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid (4-isopropylbenzyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2SCC(=O)NCCOC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2SCC(=O)NCCOC

InChI

InChI=1S/C22H27NO4S/c1-16(2)18-10-8-17(9-11-18)14-27-22(25)19-6-4-5-7-20(19)28-15-21(24)23-12-13-26-3/h4-11,16H,12-15H2,1-3H3,(H,23,24)