methyl 3-[(4-cyanophenyl)methylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(4-cyanophenyl)methylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(4-cyanophenyl)methylamino]-3-(2-thienyl)propanoate CAS Name: 3-[(4-cyanophenyl)methylamino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(4-cyanophenyl)methylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(4-cyanobenzyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NCC2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H16N2O2S/c1-20-16(19)9-14(15-3-2-8-21-15)18-11-13-6-4-12(10-17)5-7-13/h2-8,14,18H,9,11H2,1H3