[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate Traditional Name: 4-keto-6-methyl-chromene-2-carboxylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO5S/c1-15-7-8-19-17(11-15)18(24)12-20(28-19)22(26)27-13-21(25)23-9-10-29-14-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13-14H2,1H3,(H,23,25)