[(2R)-1-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=NC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=NC=C4

InChI

InChI=1S/C23H19N3O3S/c1-15(29-23(28)17-10-12-24-13-11-17)22(27)25-18-8-6-16(7-9-18)14-21-26-19-4-2-3-5-20(19)30-21/h2-13,15H,14H2,1H3,(H,25,27)/t15-/m1/s1