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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethyl pyridine-3-carboxylate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl pyridine-3-carboxylate CAS Name: 3-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-3-carboxylate Traditional Name: nicotinic 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=CN=CC=C3

Isomeric SMILES

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

InChI

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