3-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]-1-ethyl-2-oxidanylidene-quinoxaline-6-carboxylate

Systemtic Name: 3-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]-1-ethyl-2-oxidanylidene-quinoxaline-6-carboxylate Openeye Name: 3-[(E)-2-(4-bromo-2-thienyl)vinyl]-1-ethyl-2-oxo-quinoxaline-6-carboxylate CAS Name: 3-[(E)-2-(4-bromo-2-thiophenyl)ethenyl]-1-ethyl-2-oxo-6-quinoxalinecarboxylate IUPAC Name: 3-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-1-ethyl-2-oxoquinoxaline-6-carboxylate Traditional Name: 3-[(E)-2-(4-bromo-2-thienyl)vinyl]-1-ethyl-2-keto-quinoxaline-6-carboxylate Formula: C17H12BrN2O3S- MolecularWeight: 404.25778

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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(=CS3)Br

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)[O-])N=C(C1=O)/C=C/C3=CC(=CS3)Br

InChI

InChI=1S/C17H13BrN2O3S/c1-2-20-15-6-3-10(17(22)23)7-14(15)19-13(16(20)21)5-4-12-8-11(18)9-24-12/h3-9H,2H2,1H3,(H,22,23)/p-1/b5-4+