[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C20H19NO5S2 MolecularWeight: 417.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)OCC(=O)NCCSCC3=CC=CS3)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)OCC(=O)NCCSCC3=CC=CS3)O

InChI

InChI=1S/C20H19NO5S2/c22-17-10-16(19(24)15-6-2-1-5-14(15)17)20(25)26-11-18(23)21-7-9-27-12-13-4-3-8-28-13/h1-6,8,10,22,24H,7,9,11-12H2,(H,21,23)