ethyl 6,7-bis(chloranyl)-1-oxidanidyl-3-(thiophen-2-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 6,7-bis(chloranyl)-1-oxidanidyl-3-(thiophen-2-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 6,7-dichloro-1-oxido-3-(thiophene-2-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-1-oxido-3-[[oxo(thiophen-2-yl)methoxy]methyl]-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-1-oxido-3-(thiophene-2-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-1-oxido-3-(2-thenoyloxymethyl)quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C17H12Cl2N2O5S MolecularWeight: 427.25858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)C3=CC=CS3)Cl)Cl)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)C3=CC=CS3)Cl)Cl)[O-]

InChI

InChI=1S/C17H12Cl2N2O5S/c1-2-25-17(23)15-12(8-26-16(22)14-4-3-5-27-14)20-11-6-9(18)10(19)7-13(11)21(15)24/h3-7H,2,8H2,1H3