3-fluoranyl-4-methoxy-benzaldehyde; 2-[(2-methylpropan-2-yl)oxycarbonyl-thiophen-3-yl-amino]propanoic acid

Systemtic Name: 3-fluoranyl-4-methoxy-benzaldehyde; 2-[(2-methylpropan-2-yl)oxycarbonyl-thiophen-3-yl-amino]propanoic acid Openeye Name: 2-[tert-butoxycarbonyl(3-thienyl)amino]propanoic acid; 3-fluoro-4-methoxy-benzaldehyde CAS Name: 3-fluoro-4-methoxybenzaldehyde; 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(3-thiophenyl)amino]propanoic acid IUPAC Name: 3-fluoro-4-methoxybenzaldehyde; 2-[(2-methylpropan-2-yl)oxycarbonyl-thiophen-3-ylamino]propanoic acid Traditional Name: 2-[tert-butoxycarbonyl(3-thienyl)amino]propionic acid; 3-fluoro-4-methoxy-benzaldehyde Formula: C20H24FNO6S MolecularWeight: 425.471063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CSC=C1)C(=O)OC(C)(C)C.COC1=C(C=C(C=C1)C=O)F

Isomeric SMILES

CC(C(=O)O)N(C1=CSC=C1)C(=O)OC(C)(C)C.COC1=C(C=C(C=C1)C=O)F

InChI

InChI=1S/C12H17NO4S.C8H7FO2/c1-8(10(14)15)13(9-5-6-18-7-9)11(16)17-12(2,3)4;1-11-8-3-2-6(5-10)4-7(8)9/h5-8H,1-4H3,(H,14,15);2-5H,1H3