[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)NCCSC3=CC=CC=C3)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)NCCSC3=CC=CC=C3)N=C1C

InChI

InChI=1S/C21H21N3O3S/c1-14-15(2)24-19-12-16(8-9-18(19)23-14)21(26)27-13-20(25)22-10-11-28-17-6-4-3-5-7-17/h3-9,12H,10-11,13H2,1-2H3,(H,22,25)