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

Systemtic Name: [5-(azepan-1-ylmethyl)thiophen-2-yl] 2-azanyl-2-(hydroxymethyl)butanoate Openeye Name: [5-(azepan-1-ylmethyl)-2-thienyl] 2-amino-2-(hydroxymethyl)butanoate CAS Name: 2-amino-2-(hydroxymethyl)butanoic acid [5-(1-azepanylmethyl)-2-thiophenyl] ester IUPAC Name: [5-(azepan-1-ylmethyl)thiophen-2-yl] 2-amino-2-(hydroxymethyl)butanoate Traditional Name: 2-amino-2-methylol-butyric acid [5-(azepan-1-ylmethyl)-2-thienyl] ester Formula: C16H26N2O3S MolecularWeight: 326.45424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3S/c1-2-16(17,12-19)15(20)21-14-8-7-13(22-14)11-18-9-5-3-4-6-10-18/h7-8,19H,2-6,9-12,17H2,1H3