4-butoxy-3-(4-methylphenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid

Systemtic Name: 4-butoxy-3-(4-methylphenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid Openeye Name: 4-butoxy-1,1-dioxo-3-(p-tolyl)-1,2-benzothiazole-6-carboxylic acid CAS Name: 4-butoxy-3-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 4-butoxy-3-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazole-6-carboxylic acid Traditional Name: 4-butoxy-1,1-diketo-3-(p-tolyl)-1,2-benzothiazole-6-carboxylic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C2C(=CC(=C1)C(=O)O)S(=O)(=O)N=C2C3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC1=C2C(=CC(=C1)C(=O)O)S(=O)(=O)N=C2C3=CC=C(C=C3)C

InChI

InChI=1S/C19H19NO5S/c1-3-4-9-25-15-10-14(19(21)22)11-16-17(15)18(20-26(16,23)24)13-7-5-12(2)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)