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

Systemtic Name: ethyl 3-[[2-[[(4-cyanophenyl)amino]methyl]-1,3-benzothiazol-5-yl]carbonyl-propyl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-cyanoanilino)methyl]-1,3-benzothiazole-5-carbonyl]-propyl-amino]propanoate CAS Name: 3-[[[2-[(4-cyanoanilino)methyl]-1,3-benzothiazol-5-yl]-oxomethyl]-propylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-cyanoanilino)methyl]-1,3-benzothiazole-5-carbonyl]-propylamino]propanoate Traditional Name: 3-[[2-[(4-cyanoanilino)methyl]-1,3-benzothiazole-5-carbonyl]-propyl-amino]propionic acid ethyl ester Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC(=O)OCC)C(=O)C1=CC2=C(C=C1)SC(=N2)CNC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCN(CCC(=O)OCC)C(=O)C1=CC2=C(C=C1)SC(=N2)CNC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H26N4O3S/c1-3-12-28(13-11-23(29)31-4-2)24(30)18-7-10-21-20(14-18)27-22(32-21)16-26-19-8-5-17(15-25)6-9-19/h5-10,14,26H,3-4,11-13,16H2,1-2H3