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

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)NCCSCC3=CC=CC=C3)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)NCCSCC3=CC=CC=C3)N=C1C

InChI

InChI=1S/C22H23N3O3S/c1-15-16(2)25-20-12-18(8-9-19(20)24-15)22(27)28-13-21(26)23-10-11-29-14-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,26)