2-(3,4-dimethylphenyl)sulfanylethyl 1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxylate

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanylethyl 1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxylate Openeye Name: 2-(3,4-dimethylphenyl)sulfanylethyl 1-ethyl-3-methyl-2-oxo-quinoxaline-6-carboxylate CAS Name: 1-ethyl-3-methyl-2-oxo-6-quinoxalinecarboxylic acid 2-[(3,4-dimethylphenyl)thio]ethyl ester IUPAC Name: 2-(3,4-dimethylphenyl)sulfanylethyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate Traditional Name: 1-ethyl-2-keto-3-methyl-quinoxaline-6-carboxylic acid 2-[(3,4-dimethylphenyl)thio]ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCCSC3=CC(=C(C=C3)C)C)N=C(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCCSC3=CC(=C(C=C3)C)C)N=C(C1=O)C

InChI

InChI=1S/C22H24N2O3S/c1-5-24-20-9-7-17(13-19(20)23-16(4)21(24)25)22(26)27-10-11-28-18-8-6-14(2)15(3)12-18/h6-9,12-13H,5,10-11H2,1-4H3