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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethyl pyridine-4-carboxylate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl ester IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl pyridine-4-carboxylate Traditional Name: isonicotinic acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]ethyl ester Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCOC(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCOC(=O)C3=CC=NC=C3

InChI

InChI=1S/C15H13N3O4S/c19-15(11-5-7-16-8-6-11)22-10-9-17-14-12-3-1-2-4-13(12)23(20,21)18-14/h1-8H,9-10H2,(H,17,18)