[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate

Systemtic Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)OC(=O)C3=CC=NC=C3

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2S1)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C16H13N3O3S/c1-10(22-15(21)11-6-8-17-9-7-11)14(20)19-16-18-12-4-2-3-5-13(12)23-16/h2-10H,1H3,(H,18,19,20)