[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C18H21NO4S3 MolecularWeight: 411.55864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NCCSCC2=CC=CS2

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NCCSCC2=CC=CS2

InChI

InChI=1S/C18H21NO4S3/c1-22-16-10-13(24-2)5-6-15(16)18(21)23-11-17(20)19-7-9-25-12-14-4-3-8-26-14/h3-6,8,10H,7,9,11-12H2,1-2H3,(H,19,20)