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

Systemtic Name: [5-(pyrrolidin-1-ylmethyl)thiophen-2-yl] 3-oxidanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [5-(pyrrolidin-1-ylmethyl)-2-thienyl] 2-(benzyloxycarbonylamino)-3-hydroxy-butanoate CAS Name: 3-hydroxy-2-(phenylmethoxycarbonylamino)butanoic acid [5-(1-pyrrolidinylmethyl)-2-thiophenyl] ester IUPAC Name: [5-(pyrrolidin-1-ylmethyl)thiophen-2-yl] 3-hydroxy-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-hydroxy-butyric acid [5-(pyrrolidinomethyl)-2-thienyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-15(24)19(22-21(26)27-14-16-7-3-2-4-8-16)20(25)28-18-10-9-17(29-18)13-23-11-5-6-12-23/h2-4,7-10,15,19,24H,5-6,11-14H2,1H3,(H,22,26)