methyl 3-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-2-[(phenylmethyl)amino]propanoate

Systemtic Name: methyl 3-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-2-[(phenylmethyl)amino]propanoate Openeye Name: methyl 2-(benzylamino)-3-[2-(4-methoxyphenyl)benzothiophen-3-yl]propanoate CAS Name: 3-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-2-[(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-(benzylamino)-3-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]propanoate Traditional Name: 2-(benzylamino)-3-[2-(4-methoxyphenyl)benzothiophen-3-yl]propionic acid methyl ester Formula: C26H25NO3S MolecularWeight: 431.5466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)CC(C(=O)OC)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)CC(C(=O)OC)NCC4=CC=CC=C4

InChI

InChI=1S/C26H25NO3S/c1-29-20-14-12-19(13-15-20)25-22(21-10-6-7-11-24(21)31-25)16-23(26(28)30-2)27-17-18-8-4-3-5-9-18/h3-15,23,27H,16-17H2,1-2H3