[(2S)-1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl] pyridine-2-carboxylate

Systemtic Name: [(2S)-1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl] pyridine-2-carboxylate Openeye Name: [(1S)-1-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [(2S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxopropan-2-yl] pyridine-2-carboxylate Traditional Name: picolinic acid [(1S)-2-keto-1-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl] ester Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)OC(=O)C4=CC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)[C@H](C)OC(=O)C4=CC=CC=N4

InChI

InChI=1S/C23H19N3O3S/c1-14-6-11-18-20(13-14)30-22(26-18)16-7-9-17(10-8-16)25-21(27)15(2)29-23(28)19-5-3-4-12-24-19/h3-13,15H,1-2H3,(H,25,27)/t15-/m0/s1