methyl (2E)-2-[3-[(6-chloranyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)-methyl-amino]-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-ylidene]ethanoate

Systemtic Name: methyl (2E)-2-[3-[(6-chloranyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)-methyl-amino]-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-ylidene]ethanoate Openeye Name: methyl (2E)-2-[3-[(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)-methyl-amino]-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-ylidene]acetate CAS Name: (2E)-2-[3-[(6-chloro-4-oxido-2-quinoxalin-4-iumyl)-methylamino]-5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinylidene]acetic acid methyl ester IUPAC Name: methyl (2E)-2-[3-[(6-chloro-4-oxidoquinoxalin-4-ium-2-yl)-methylamino]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene]acetate Traditional Name: (2E)-2-[3-[(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)-methyl-amino]-5-keto-1-phenyl-2-thioxo-imidazolidin-4-ylidene]acetic acid methyl ester Formula: C21H16ClN5O4S MolecularWeight: 469.90084

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C[N+](=C2C=C(C=CC2=N1)Cl)[O-])N3C(=CC(=O)OC)C(=O)N(C3=S)C4=CC=CC=C4

Isomeric SMILES

CN(C1=C[N+](=C2C=C(C=CC2=N1)Cl)[O-])N3/C(=C/C(=O)OC)/C(=O)N(C3=S)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN5O4S/c1-24(18-12-25(30)16-10-13(22)8-9-15(16)23-18)27-17(11-19(28)31-2)20(29)26(21(27)32)14-6-4-3-5-7-14/h3-12H,1-2H3/b17-11+