[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl] 2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [5-(pyrrolidin-1-ylmethyl)thiophen-2-yl] 2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [5-(pyrrolidin-1-ylmethyl)-2-thienyl] 2-(benzyloxycarbonylamino)-2-(hydroxymethyl)butanoate CAS Name: 2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)butanoic acid [5-(1-pyrrolidinylmethyl)-2-thiophenyl] ester IUPAC Name: [5-(pyrrolidin-1-ylmethyl)thiophen-2-yl] 2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-2-methylol-butyric acid [5-(pyrrolidinomethyl)-2-thienyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(C(=O)OC1=CC=C(S1)CN2CCCC2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(CO)(C(=O)OC1=CC=C(S1)CN2CCCC2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O5S/c1-2-22(16-25,23-21(27)28-15-17-8-4-3-5-9-17)20(26)29-19-11-10-18(30-19)14-24-12-6-7-13-24/h3-5,8-11,25H,2,6-7,12-16H2,1H3,(H,23,27)