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

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3,5-dimethylbenzoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic 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:

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

Isomeric SMILES

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

InChI

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