[2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C15H10BrN3O3S MolecularWeight: 392.2272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)COC(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)COC(=O)C3=CC=NC=C3

InChI

InChI=1S/C15H10BrN3O3S/c16-10-1-2-11-12(7-10)23-15(18-11)19-13(20)8-22-14(21)9-3-5-17-6-4-9/h1-7H,8H2,(H,18,19,20)