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

Systemtic Name: [5-(azepan-1-ylmethyl)thiophen-2-yl] 2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [5-(azepan-1-ylmethyl)-2-thienyl] 2-(benzyloxycarbonylamino)-2-(hydroxymethyl)butanoate CAS Name: 2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)butanoic acid [5-(1-azepanylmethyl)-2-thiophenyl] ester IUPAC Name: [5-(azepan-1-ylmethyl)thiophen-2-yl] 2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-2-methylol-butyric acid [5-(azepan-1-ylmethyl)-2-thienyl] ester Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(C(=O)OC1=CC=C(S1)CN2CCCCCC2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(CO)(C(=O)OC1=CC=C(S1)CN2CCCCCC2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O5S/c1-2-24(18-27,25-23(29)30-17-19-10-6-5-7-11-19)22(28)31-21-13-12-20(32-21)16-26-14-8-3-4-9-15-26/h5-7,10-13,27H,2-4,8-9,14-18H2,1H3,(H,25,29)