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

Systemtic Name: ethyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: ethyl 3-[5-(azepan-1-ylmethyl)-2-thienyl]-2-(benzyloxycarbonylamino)-3-hydroxy-propanoate CAS Name: 3-[5-(1-azepanylmethyl)-2-thiophenyl]-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-[5-(azepan-1-ylmethyl)-2-thienyl]-2-(benzyloxycarbonylamino)-3-hydroxy-propionic acid ethyl ester Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(S1)CN2CCCCCC2)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(S1)CN2CCCCCC2)O)NC(=O)OCC3=CC=CC=C3

InChI

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