methyl 2-[(3-cyanophenyl)methyl]-3-[(5-pyridin-2-ylthiophen-2-yl)carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(5-pyridin-2-ylthiophen-2-yl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[5-(2-pyridyl)thiophene-2-carbonyl]amino]butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[oxo-[5-(2-pyridinyl)-2-thiophenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(5-pyridin-2-ylthiophene-2-carbonyl)amino]butanoate Traditional Name: 2-(3-cyanobenzyl)-3-[[5-(2-pyridyl)thiophene-2-carbonyl]amino]butyric acid methyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2=CC=C(S2)C3=CC=CC=N3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2=CC=C(S2)C3=CC=CC=N3

InChI

InChI=1S/C23H21N3O3S/c1-15(18(23(28)29-2)13-16-6-5-7-17(12-16)14-24)26-22(27)21-10-9-20(30-21)19-8-3-4-11-25-19/h3-12,15,18H,13H2,1-2H3,(H,26,27)