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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CS2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CS2

InChI

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