(Z)-2-[(5-bromanyl-1-benzofuran-2-yl)carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid

Systemtic Name: (Z)-2-[(5-bromanyl-1-benzofuran-2-yl)carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid Openeye Name: (Z)-2-[(5-bromobenzofuran-2-carbonyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoic acid CAS Name: (Z)-2-[[(5-bromo-2-benzofuranyl)-oxomethyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic acid IUPAC Name: (Z)-2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoic acid Traditional Name: (Z)-2-[(5-bromobenzofuran-2-carbonyl)amino]-5-[(3S)-2-ketopyrrolidin-3-yl]pent-2-enoic acid Formula: C18H17BrN2O5 MolecularWeight: 421.24198

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C1CCC=C(C(=O)O)NC(=O)C2=CC3=C(O2)C=CC(=C3)Br

Isomeric SMILES

C1CNC(=O)[C@H]1CC/C=C(/C(=O)O)\NC(=O)C2=CC3=C(O2)C=CC(=C3)Br

InChI

InChI=1S/C18H17BrN2O5/c19-12-4-5-14-11(8-12)9-15(26-14)17(23)21-13(18(24)25)3-1-2-10-6-7-20-16(10)22/h3-5,8-10H,1-2,6-7H2,(H,20,22)(H,21,23)(H,24,25)/b13-3-/t10-/m0/s1