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

Systemtic Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-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] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O3S/c1-9(23-15(22)10-6-7-18-13(17)8-10)14(21)20-16-19-11-4-2-3-5-12(11)24-16/h2-9H,1H3,(H,19,20,21)