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

Systemtic Name: ethyl 2-azanyl-3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-oxidanyl-propanoate Openeye Name: ethyl 2-amino-3-[5-(azepan-1-ylmethyl)-2-thienyl]-3-hydroxy-propanoate CAS Name: 2-amino-3-[5-(1-azepanylmethyl)-2-thiophenyl]-3-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-hydroxypropanoate Traditional Name: 2-amino-3-[5-(azepan-1-ylmethyl)-2-thienyl]-3-hydroxy-propionic acid ethyl ester Formula: C16H26N2O3S MolecularWeight: 326.45424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(S1)CN2CCCCCC2)O)N

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(S1)CN2CCCCCC2)O)N

InChI

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