2-(5-bromanylthiophen-2-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]ethanoic acid

Systemtic Name: 2-(5-bromanylthiophen-2-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]ethanoic acid Openeye Name: 2-(5-bromo-2-thienyl)-2-(4-tert-butoxycarbonyl-1,4-diazepan-1-yl)acetic acid CAS Name: 2-(5-bromo-2-thiophenyl)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1,4-diazepan-1-yl]acetic acid IUPAC Name: 2-(5-bromothiophen-2-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]acetic acid Traditional Name: 2-(5-bromo-2-thienyl)-2-(4-tert-butoxycarbonyl-1,4-diazepan-1-yl)acetic acid Formula: C16H23BrN2O4S MolecularWeight: 419.33382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C(C2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C(C2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C16H23BrN2O4S/c1-16(2,3)23-15(22)19-8-4-7-18(9-10-19)13(14(20)21)11-5-6-12(17)24-11/h5-6,13H,4,7-10H2,1-3H3,(H,20,21)