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

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanylmethyl]-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-6-carboxylic acid Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid CAS Name: 2-[[(2-chloro-4-fluorophenyl)methylthio]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid Traditional Name: 2-[[(2-chloro-4-fluoro-benzyl)thio]methyl]-3-keto-2,4-dihydro-1H-quinoxaline-6-carboxylic acid Formula: C17H14ClFN2O3S MolecularWeight: 380.821063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)NC(=O)C(N2)CSCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)NC(=O)C(N2)CSCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C17H14ClFN2O3S/c18-12-6-11(19)3-1-10(12)7-25-8-15-16(22)21-14-5-9(17(23)24)2-4-13(14)20-15/h1-6,15,20H,7-8H2,(H,21,22)(H,23,24)