methyl 3-methoxy-4-[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]benzoate

Systemtic Name: methyl 3-methoxy-4-[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]benzoate Openeye Name: methyl 3-methoxy-4-[2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethoxy]benzoate CAS Name: 3-methoxy-4-[2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[2-(2-thenylthio)ethylamino]ethoxy]-3-methoxy-benzoic acid methyl ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5S2/c1-22-16-10-13(18(21)23-2)5-6-15(16)24-11-17(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)