[4-methyl-5-(pyrrolidin-1-ylmethyl)thiophen-2-yl] 2-(hydroxymethyl)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [4-methyl-5-(pyrrolidin-1-ylmethyl)thiophen-2-yl] 2-(hydroxymethyl)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [4-methyl-5-(pyrrolidin-1-ylmethyl)-2-thienyl] 2-(benzyloxycarbonylamino)-2-(hydroxymethyl)-3,3-dimethyl-butanoate CAS Name: 2-(hydroxymethyl)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic acid [4-methyl-5-(1-pyrrolidinylmethyl)-2-thiophenyl] ester IUPAC Name: [4-methyl-5-(pyrrolidin-1-ylmethyl)thiophen-2-yl] 2-(hydroxymethyl)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3,3-dimethyl-2-methylol-butyric acid [4-methyl-5-(pyrrolidinomethyl)-2-thienyl] ester Formula: C25H34N2O5S MolecularWeight: 474.61286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)OC(=O)C(CO)(C(C)(C)C)NC(=O)OCC2=CC=CC=C2)CN3CCCC3

Isomeric SMILES

CC1=C(SC(=C1)OC(=O)C(CO)(C(C)(C)C)NC(=O)OCC2=CC=CC=C2)CN3CCCC3

InChI

InChI=1S/C25H34N2O5S/c1-18-14-21(33-20(18)15-27-12-8-9-13-27)32-22(29)25(17-28,24(2,3)4)26-23(30)31-16-19-10-6-5-7-11-19/h5-7,10-11,14,28H,8-9,12-13,15-17H2,1-4H3,(H,26,30)