1,1-bis(oxidanylidene)-3-phenyl-4-(thiophen-3-ylmethoxy)-1,2-benzothiazole-6-carboxylic acid

Systemtic Name: 1,1-bis(oxidanylidene)-3-phenyl-4-(thiophen-3-ylmethoxy)-1,2-benzothiazole-6-carboxylic acid Openeye Name: 1,1-dioxo-3-phenyl-4-(3-thienylmethoxy)-1,2-benzothiazole-6-carboxylic acid CAS Name: 1,1-dioxo-3-phenyl-4-(3-thiophenylmethoxy)-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 1,1-dioxo-3-phenyl-4-(thiophen-3-ylmethoxy)-1,2-benzothiazole-6-carboxylic acid Traditional Name: 1,1-diketo-3-phenyl-4-(3-thenyloxy)-1,2-benzothiazole-6-carboxylic acid Formula: C19H13NO5S2 MolecularWeight: 399.44022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NS(=O)(=O)C3=CC(=CC(=C32)OCC4=CSC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NS(=O)(=O)C3=CC(=CC(=C32)OCC4=CSC=C4)C(=O)O

InChI

InChI=1S/C19H13NO5S2/c21-19(22)14-8-15(25-10-12-6-7-26-11-12)17-16(9-14)27(23,24)20-18(17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,21,22)