1-benzothiophen-5-ylmethyl 2-(2-cyanophenyl)-3-methyl-2-[pentanoyl-(phenylmethyl)amino]butanoate

Systemtic Name: 1-benzothiophen-5-ylmethyl 2-(2-cyanophenyl)-3-methyl-2-[pentanoyl-(phenylmethyl)amino]butanoate Openeye Name: benzothiophen-5-ylmethyl 2-[benzyl(pentanoyl)amino]-2-(2-cyanophenyl)-3-methyl-butanoate CAS Name: 2-(2-cyanophenyl)-3-methyl-2-[1-oxopentyl-(phenylmethyl)amino]butanoic acid 1-benzothiophen-5-ylmethyl ester IUPAC Name: 1-benzothiophen-5-ylmethyl 2-[benzyl(pentanoyl)amino]-2-(2-cyanophenyl)-3-methylbutanoate Traditional Name: 2-[benzyl(valeryl)amino]-2-(2-cyanophenyl)-3-methyl-butyric acid benzothiophen-5-ylmethyl ester Formula: C33H34N2O3S MolecularWeight: 538.69966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=CC=C1)C(C2=CC=CC=C2C#N)(C(C)C)C(=O)OCC3=CC4=C(C=C3)SC=C4

Isomeric SMILES

CCCCC(=O)N(CC1=CC=CC=C1)C(C2=CC=CC=C2C#N)(C(C)C)C(=O)OCC3=CC4=C(C=C3)SC=C4

InChI

InChI=1S/C33H34N2O3S/c1-4-5-15-31(36)35(22-25-11-7-6-8-12-25)33(24(2)3,29-14-10-9-13-28(29)21-34)32(37)38-23-26-16-17-30-27(20-26)18-19-39-30/h6-14,16-20,24H,4-5,15,22-23H2,1-3H3