2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]-5-[2-(pyridin-2-yldisulfanyl)ethylcarbamoyl]benzoate

Systemtic Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]-5-[2-(pyridin-2-yldisulfanyl)ethylcarbamoyl]benzoate Openeye Name: 2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]-5-[2-(2-pyridyldisulfanyl)ethylcarbamoyl]benzoate CAS Name: 2-[3-(dimethylamino)-6-dimethyliminio-9-xanthenyl]-5-[oxo-[2-(2-pyridinyldisulfanyl)ethylamino]methyl]benzoate IUPAC Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-[2-(pyridin-2-yldisulfanyl)ethylcarbamoyl]benzoate Traditional Name: 2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]-5-[2-(2-pyridyldisulfanyl)ethylcarbamoyl]benzoate Formula: C32H30N4O4S2 MolecularWeight: 598.735

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)NCCSSC5=CC=CC=N5)C(=O)[O-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)NCCSSC5=CC=CC=N5)C(=O)[O-]

InChI

InChI=1S/C32H30N4O4S2/c1-35(2)21-9-12-24-27(18-21)40-28-19-22(36(3)4)10-13-25(28)30(24)23-11-8-20(17-26(23)32(38)39)31(37)34-15-16-41-42-29-7-5-6-14-33-29/h5-14,17-19H,15-16H2,1-4H3,(H-,34,37,38,39)