7-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethoxy]-1,1-dimethyl-4-oxidanylidene-2,3-dihydroquinolin-1-ium-2-carboxylic acid

Systemtic Name: 7-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethoxy]-1,1-dimethyl-4-oxidanylidene-2,3-dihydroquinolin-1-ium-2-carboxylic acid Openeye Name: 7-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethoxy]-1,1-dimethyl-4-oxo-2,3-dihydroquinolin-1-ium-2-carboxylic acid CAS Name: 7-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-1,1-dimethyl-4-oxo-2,3-dihydroquinolin-1-ium-2-carboxylic acid IUPAC Name: 7-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-1,1-dimethyl-4-oxo-2,3-dihydroquinolin-1-ium-2-carboxylic acid Traditional Name: 7-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethoxy]-4-keto-1,1-dimethyl-2,3-dihydroquinolin-1-ium-2-carboxylic acid Formula: C21H20N3O5S+ MolecularWeight: 426.4656

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(CC(=O)C2=C1C=C(C=C2)OCC(=O)NC3=NC4=CC=CC=C4S3)C(=O)O)C

Isomeric SMILES

C[N+]1(C(CC(=O)C2=C1C=C(C=C2)OCC(=O)NC3=NC4=CC=CC=C4S3)C(=O)O)C

InChI

InChI=1S/C21H19N3O5S/c1-24(2)15-9-12(7-8-13(15)17(25)10-16(24)20(27)28)29-11-19(26)23-21-22-14-5-3-4-6-18(14)30-21/h3-9,16H,10-11H2,1-2H3,(H-,22,23,26,27,28)/p+1