methyl 2-[(3-cyanophenyl)methyl]-3-[(2-pyridin-3-yl-1,3-thiazol-5-yl)carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(2-pyridin-3-yl-1,3-thiazol-5-yl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[2-(3-pyridyl)thiazole-5-carbonyl]amino]butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[oxo-[2-(3-pyridinyl)-5-thiazolyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]butanoate Traditional Name: 2-(3-cyanobenzyl)-3-[[2-(3-pyridyl)thiazole-5-carbonyl]amino]butyric acid methyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2=CN=C(S2)C3=CN=CC=C3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2=CN=C(S2)C3=CN=CC=C3

InChI

InChI=1S/C22H20N4O3S/c1-14(18(22(28)29-2)10-15-5-3-6-16(9-15)11-23)26-20(27)19-13-25-21(30-19)17-7-4-8-24-12-17/h3-9,12-14,18H,10H2,1-2H3,(H,26,27)