1-ethyl-3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-2-oxidanylidene-quinoxaline-6-carboxylic acid

Systemtic Name: 1-ethyl-3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-2-oxidanylidene-quinoxaline-6-carboxylic acid Openeye Name: 1-ethyl-3-[(E)-2-(4-methylsulfanylphenyl)vinyl]-2-oxo-quinoxaline-6-carboxylic acid CAS Name: 1-ethyl-3-[(E)-2-[4-(methylthio)phenyl]ethenyl]-2-oxo-6-quinoxalinecarboxylic acid IUPAC Name: 1-ethyl-3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-2-oxoquinoxaline-6-carboxylic acid Traditional Name: 1-ethyl-2-keto-3-[(E)-2-[4-(methylthio)phenyl]vinyl]quinoxaline-6-carboxylic acid Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)O)N=C(C1=O)C=CC3=CC=C(C=C3)SC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O)N=C(C1=O)/C=C/C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H18N2O3S/c1-3-22-18-11-7-14(20(24)25)12-17(18)21-16(19(22)23)10-6-13-4-8-15(26-2)9-5-13/h4-12H,3H2,1-2H3,(H,24,25)/b10-6+