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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl pyridine-4-carboxylate Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl ester IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl pyridine-4-carboxylate Traditional Name: isonicotinic acid 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S/c20-16(12-6-9-17-10-7-12)23-11-3-8-18-15-13-4-1-2-5-14(13)24(21,22)19-15/h1-2,4-7,9-10H,3,8,11H2,(H,18,19)