(3,5-dimethylphenyl)methyl 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: (3,5-dimethylphenyl)methyl 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: (3,5-dimethylphenyl)methyl 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid (3,5-dimethylbenzyl) ester Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)CSC2=NC3=CC=CC=C3N=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)CSC2=NC3=CC=CC=C3N=C2)C

InChI

InChI=1S/C19H18N2O2S/c1-13-7-14(2)9-15(8-13)11-23-19(22)12-24-18-10-20-16-5-3-4-6-17(16)21-18/h3-10H,11-12H2,1-2H3