4-(2-ethylsulfanyl-3-methyl-8-oxidanylidene-pyrano[3,2-g]benzimidazol-1-ium-1-yl)butane-2-sulfonic acid

Systemtic Name: 4-(2-ethylsulfanyl-3-methyl-8-oxidanylidene-pyrano[3,2-g]benzimidazol-1-ium-1-yl)butane-2-sulfonic acid Openeye Name: 4-(2-ethylsulfanyl-3-methyl-8-oxo-pyrano[3,2-g]benzimidazol-1-ium-1-yl)butane-2-sulfonic acid CAS Name: 4-[2-(ethylthio)-3-methyl-8-oxo-1-pyrano[3,2-g]benzimidazol-1-iumyl]-2-butanesulfonic acid IUPAC Name: 4-(2-ethylsulfanyl-3-methyl-8-oxopyrano[3,2-g]benzimidazol-1-ium-1-yl)butane-2-sulfonic acid Traditional Name: 4-[2-(ethylthio)-8-keto-3-methyl-pyrano[3,2-g]benzimidazol-1-ium-1-yl]butane-2-sulfonic acid Formula: C17H21N2O5S2+ MolecularWeight: 397.48904

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=[N+](C2=C(N1C)C=CC3=C2OC(=O)C=C3)CCC(C)S(=O)(=O)O

Isomeric SMILES

CCSC1=[N+](C2=C(N1C)C=CC3=C2OC(=O)C=C3)CCC(C)S(=O)(=O)O

InChI

InChI=1S/C17H20N2O5S2/c1-4-25-17-18(3)13-7-5-12-6-8-14(20)24-16(12)15(13)19(17)10-9-11(2)26(21,22)23/h5-8,11H,4,9-10H2,1-3H3/p+1