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

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C15H11N3O3S MolecularWeight: 313.33114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O3S/c19-13(9-21-14(20)10-4-3-7-16-8-10)18-15-17-11-5-1-2-6-12(11)22-15/h1-8H,9H2,(H,17,18,19)