2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-phenyl-amino]ethyl pyridine-4-carboxylate

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-phenyl-amino]ethyl pyridine-4-carboxylate Openeye Name: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl ester IUPAC Name: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl pyridine-4-carboxylate Traditional Name: isonicotinic acid 2-(N-(1,1-diketo-1,2-benzothiazol-3-yl)anilino)ethyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCOC(=O)C2=CC=NC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)N(CCOC(=O)C2=CC=NC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H17N3O4S/c25-21(16-10-12-22-13-11-16)28-15-14-24(17-6-2-1-3-7-17)20-18-8-4-5-9-19(18)29(26,27)23-20/h1-13H,14-15H2