methyl 2-[[5-[2-(4-methoxyphenyl)ethynyl]thiophen-2-yl]methylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[5-[2-(4-methoxyphenyl)ethynyl]thiophen-2-yl]methylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[5-[2-(4-methoxyphenyl)ethynyl]-2-thienyl]methylamino]-3-phenyl-propanoate CAS Name: 2-[[5-[2-(4-methoxyphenyl)ethynyl]-2-thiophenyl]methylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[5-[2-(4-methoxyphenyl)ethynyl]thiophen-2-yl]methylamino]-3-phenylpropanoate Traditional Name: 2-[[5-[2-(4-methoxyphenyl)ethynyl]-2-thienyl]methylamino]-3-phenyl-propionic acid methyl ester Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=CC=C(S2)CNC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=CC=C(S2)CNC(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H23NO3S/c1-27-20-11-8-18(9-12-20)10-13-21-14-15-22(29-21)17-25-23(24(26)28-2)16-19-6-4-3-5-7-19/h3-9,11-12,14-15,23,25H,16-17H2,1-2H3