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

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2,4-dimethylbenzoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C18H21NO3S2 MolecularWeight: 363.49424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CS2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CS2)C

InChI

InChI=1S/C18H21NO3S2/c1-13-5-6-16(14(2)10-13)18(21)22-11-17(20)19-7-9-23-12-15-4-3-8-24-15/h3-6,8,10H,7,9,11-12H2,1-2H3,(H,19,20)