2-[(2-methylphenyl)methylsulfanylmethyl]-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-6-carboxylic acid

Systemtic Name: 2-[(2-methylphenyl)methylsulfanylmethyl]-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-6-carboxylic acid Openeye Name: 2-(o-tolylmethylsulfanylmethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid CAS Name: 2-[[(2-methylphenyl)methylthio]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid IUPAC Name: 2-[(2-methylphenyl)methylsulfanylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid Traditional Name: 3-keto-2-[[(2-methylbenzyl)thio]methyl]-2,4-dihydro-1H-quinoxaline-6-carboxylic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C18H18N2O3S/c1-11-4-2-3-5-13(11)9-24-10-16-17(21)20-15-8-12(18(22)23)6-7-14(15)19-16/h2-8,16,19H,9-10H2,1H3,(H,20,21)(H,22,23)