methyl 3-[[2-[[(4-cyanophenyl)amino]methyl]-1,3-benzothiazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate

Systemtic Name: methyl 3-[[2-[[(4-cyanophenyl)amino]methyl]-1,3-benzothiazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: methyl 3-[[2-[(4-cyanoanilino)methyl]-1,3-benzothiazole-5-carbonyl]-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-[(4-cyanoanilino)methyl]-1,3-benzothiazol-5-yl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-cyanoanilino)methyl]-1,3-benzothiazole-5-carbonyl]-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[(4-cyanoanilino)methyl]-1,3-benzothiazole-5-carbonyl]-(2-pyridyl)amino]propionic acid methyl ester Formula: C25H21N5O3S MolecularWeight: 471.53094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)SC(=N3)CNC4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)SC(=N3)CNC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H21N5O3S/c1-33-24(31)11-13-30(22-4-2-3-12-27-22)25(32)18-7-10-21-20(14-18)29-23(34-21)16-28-19-8-5-17(15-26)6-9-19/h2-10,12,14,28H,11,13,16H2,1H3