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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 6-methyl-4-oxo-chromene-2-carboxylate CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 6-methyl-4-oxochromene-2-carboxylate Traditional Name: 4-keto-6-methyl-chromene-2-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H19NO5S/c1-14-7-8-18-16(11-14)17(23)12-19(27-18)21(25)26-13-20(24)22-9-10-28-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,22,24)