[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2H-chromene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2H-chromene-3-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2H-chromene-3-carboxylate CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2H-chromene-3-carboxylate Traditional Name: 2H-chromene-3-carboxylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO4S/c23-20(22-10-11-27-15-16-6-2-1-3-7-16)14-26-21(24)18-12-17-8-4-5-9-19(17)25-13-18/h1-9,12H,10-11,13-15H2,(H,22,23)