[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-ethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-ethoxybenzoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CS2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CS2

InChI

InChI=1S/C18H21NO4S2/c1-2-22-15-7-5-14(6-8-15)18(21)23-12-17(20)19-9-11-24-13-16-4-3-10-25-16/h3-8,10H,2,9,11-13H2,1H3,(H,19,20)