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

Systemtic Name: [(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl] pyridine-3-carboxylate Openeye Name: [(1R)-2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(1R)-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=CN=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=NC2=CC=CC=C2S1)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C16H13N3O3S/c1-10(22-15(21)11-5-4-8-17-9-11)14(20)19-16-18-12-6-2-3-7-13(12)23-16/h2-10H,1H3,(H,18,19,20)/t10-/m1/s1