[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC(=O)NCCSCC2=CC=CS2)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC(=O)NCCSCC2=CC=CS2)OC

InChI

InChI=1S/C18H21NO5S2/c1-22-14-8-13(9-15(10-14)23-2)18(21)24-11-17(20)19-5-7-25-12-16-4-3-6-26-16/h3-4,6,8-10H,5,7,11-12H2,1-2H3,(H,19,20)