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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4S/c1-23(2,24-22(27)28-17-18-10-6-5-7-11-18)21(26)29-20-13-12-19(30-20)16-25-14-8-3-4-9-15-25/h5-7,10-13H,3-4,8-9,14-17H2,1-2H3,(H,24,27)