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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N5O3S/c1-2-33-24(31)16-30(22-5-3-4-12-27-22)25(32)18-8-11-21-20(13-18)29-23(34-21)15-28-19-9-6-17(14-26)7-10-19/h3-13,28H,2,15-16H2,1H3