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

Systemtic Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzothiazol-5-yl]carbonyl-pyridin-2-yl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzothiazole-5-carbonyl]-(2-pyridyl)amino]acetate CAS Name: 2-[[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzothiazol-5-yl]-oxomethyl]-(2-pyridinyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzothiazole-5-carbonyl]-pyridin-2-ylamino]acetate Traditional Name: 2-[[2-[2-(4-cyanophenyl)ethyl]-1,3-benzothiazole-5-carbonyl]-(2-pyridyl)amino]acetic acid ethyl ester Formula: C26H22N4O3S MolecularWeight: 470.54288

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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)CCC4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)SC(=N3)CCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H22N4O3S/c1-2-33-25(31)17-30(23-5-3-4-14-28-23)26(32)20-11-12-22-21(15-20)29-24(34-22)13-10-18-6-8-19(16-27)9-7-18/h3-9,11-12,14-15H,2,10,13,17H2,1H3