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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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