[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-acetamidobenzoate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-acetamidobenzoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NCCSCC2=CC=CS2

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NCCSCC2=CC=CS2

InChI

InChI=1S/C18H20N2O4S2/c1-13(21)20-15-5-2-4-14(10-15)18(23)24-11-17(22)19-7-9-25-12-16-6-3-8-26-16/h2-6,8,10H,7,9,11-12H2,1H3,(H,19,22)(H,20,21)