[5-(azepan-1-ylmethyl)thiophen-2-yl] 2-azanyl-2-(hydroxymethyl)-3,3-dimethyl-butanoate

Systemtic Name: [5-(azepan-1-ylmethyl)thiophen-2-yl] 2-azanyl-2-(hydroxymethyl)-3,3-dimethyl-butanoate Openeye Name: [5-(azepan-1-ylmethyl)-2-thienyl] 2-amino-2-(hydroxymethyl)-3,3-dimethyl-butanoate CAS Name: 2-amino-2-(hydroxymethyl)-3,3-dimethylbutanoic acid [5-(1-azepanylmethyl)-2-thiophenyl] ester IUPAC Name: [5-(azepan-1-ylmethyl)thiophen-2-yl] 2-amino-2-(hydroxymethyl)-3,3-dimethylbutanoate Traditional Name: 2-amino-3,3-dimethyl-2-methylol-butyric acid [5-(azepan-1-ylmethyl)-2-thienyl] ester Formula: C18H30N2O3S MolecularWeight: 354.5074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CO)(C(=O)OC1=CC=C(S1)CN2CCCCCC2)N

Isomeric SMILES

CC(C)(C)C(CO)(C(=O)OC1=CC=C(S1)CN2CCCCCC2)N

InChI

InChI=1S/C18H30N2O3S/c1-17(2,3)18(19,13-21)16(22)23-15-9-8-14(24-15)12-20-10-6-4-5-7-11-20/h8-9,21H,4-7,10-13,19H2,1-3H3