2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-6-carboxylic acid

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-6-carboxylic acid Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid CAS Name: 2-[[(2,5-dimethylphenyl)methylthio]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid Traditional Name: 2-[[(2,5-dimethylbenzyl)thio]methyl]-3-keto-2,4-dihydro-1H-quinoxaline-6-carboxylic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C19H20N2O3S/c1-11-3-4-12(2)14(7-11)9-25-10-17-18(22)21-16-8-13(19(23)24)5-6-15(16)20-17/h3-8,17,20H,9-10H2,1-2H3,(H,21,22)(H,23,24)