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

Systemtic Name: ethyl 2-[1,3-benzothiazol-5-yloxycarbonyl(pyridin-2-yl)amino]-4-(4-cyanophenyl)butanoate Openeye Name: ethyl 2-[1,3-benzothiazol-5-yloxycarbonyl(2-pyridyl)amino]-4-(4-cyanophenyl)butanoate CAS Name: 2-[[1,3-benzothiazol-5-yloxy(oxo)methyl]-(2-pyridinyl)amino]-4-(4-cyanophenyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-[1,3-benzothiazol-5-yloxycarbonyl(pyridin-2-yl)amino]-4-(4-cyanophenyl)butanoate Traditional Name: 2-[1,3-benzothiazol-5-yloxycarbonyl(2-pyridyl)amino]-4-(4-cyanophenyl)butyric acid ethyl ester Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=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(CCC1=CC=C(C=C1)C#N)N(C2=CC=CC=N2)C(=O)OC3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C26H22N4O4S/c1-2-33-25(31)22(12-10-18-6-8-19(16-27)9-7-18)30(24-5-3-4-14-28-24)26(32)34-20-11-13-23-21(15-20)29-17-35-23/h3-9,11,13-15,17,22H,2,10,12H2,1H3