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

Systemtic Name: methyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 3-[5-(azepan-1-ylmethyl)-2-thienyl]-2-(benzyloxycarbonylamino)propanoate CAS Name: 3-[5-(1-azepanylmethyl)-2-thiophenyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-[5-(azepan-1-ylmethyl)-2-thienyl]-2-(benzyloxycarbonylamino)propionic acid methyl ester Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(S1)CN2CCCCCC2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CC=C(S1)CN2CCCCCC2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4S/c1-28-22(26)21(24-23(27)29-17-18-9-5-4-6-10-18)15-19-11-12-20(30-19)16-25-13-7-2-3-8-14-25/h4-6,9-12,21H,2-3,7-8,13-17H2,1H3,(H,24,27)