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

Systemtic Name: methyl 2-[[5-[2-(4-methoxyphenyl)ethynyl]thiophen-2-yl]methylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[5-[2-(4-methoxyphenyl)ethynyl]-2-thienyl]methylamino]-3-methyl-butanoate CAS Name: 2-[[5-[2-(4-methoxyphenyl)ethynyl]-2-thiophenyl]methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[5-[2-(4-methoxyphenyl)ethynyl]thiophen-2-yl]methylamino]-3-methylbutanoate Traditional Name: 2-[[5-[2-(4-methoxyphenyl)ethynyl]-2-thienyl]methylamino]-3-methyl-butyric acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NCC1=CC=C(S1)C#CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(C(=O)OC)NCC1=CC=C(S1)C#CC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H23NO3S/c1-14(2)19(20(22)24-4)21-13-18-12-11-17(25-18)10-7-15-5-8-16(23-3)9-6-15/h5-6,8-9,11-12,14,19,21H,13H2,1-4H3