ethyl 3-oxidanyl-2-(phenylmethoxycarbonylamino)-3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propanoate

Systemtic Name: ethyl 3-oxidanyl-2-(phenylmethoxycarbonylamino)-3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propanoate Openeye Name: ethyl 2-(benzyloxycarbonylamino)-3-hydroxy-3-[5-(pyrrolidin-1-ylmethyl)-2-thienyl]propanoate CAS Name: 3-hydroxy-2-(phenylmethoxycarbonylamino)-3-[5-(1-pyrrolidinylmethyl)-2-thiophenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-2-(phenylmethoxycarbonylamino)-3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-hydroxy-3-[5-(pyrrolidinomethyl)-2-thienyl]propionic acid ethyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(S1)CN2CCCC2)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(S1)CN2CCCC2)O)NC(=O)OCC3=CC=CC=C3

InChI

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