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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)CC(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/c1-33-24(31)12-19(15-28-18-7-5-17(14-26)6-8-18)30(23-4-2-3-11-27-23)25(32)34-20-9-10-22-21(13-20)29-16-35-22/h2-11,13,16,19,28H,12,15H2,1H3