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

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C15H10ClN3O3S MolecularWeight: 347.7762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C15H10ClN3O3S/c16-12-7-9(5-6-17-12)14(21)22-8-13(20)19-15-18-10-3-1-2-4-11(10)23-15/h1-7H,8H2,(H,18,19,20)