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

Systemtic Name: ethyl 2-[1,3-benzothiazol-5-yloxycarbonyl(pyridin-2-yl)amino]-3-[(4-cyanophenyl)amino]propanoate Openeye Name: ethyl 2-[1,3-benzothiazol-5-yloxycarbonyl(2-pyridyl)amino]-3-(4-cyanoanilino)propanoate CAS Name: 2-[[1,3-benzothiazol-5-yloxy(oxo)methyl]-(2-pyridinyl)amino]-3-(4-cyanoanilino)propanoic acid ethyl ester IUPAC Name: ethyl 2-[1,3-benzothiazol-5-yloxycarbonyl(pyridin-2-yl)amino]-3-(4-cyanoanilino)propanoate Traditional Name: 2-[1,3-benzothiazol-5-yloxycarbonyl(2-pyridyl)amino]-3-(4-cyanoanilino)propionic acid ethyl ester Formula: C25H21N5O4S MolecularWeight: 487.53034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC1=CC=C(C=C1)C#N)N(C2=CC=CC=N2)C(=O)OC3=CC4=C(C=C3)SC=N4

Isomeric SMILES

CCOC(=O)C(CNC1=CC=C(C=C1)C#N)N(C2=CC=CC=N2)C(=O)OC3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C25H21N5O4S/c1-2-33-24(31)21(15-28-18-8-6-17(14-26)7-9-18)30(23-5-3-4-12-27-23)25(32)34-19-10-11-22-20(13-19)29-16-35-22/h3-13,16,21,28H,2,15H2,1H3