3-[(5-bromanylfuran-2-yl)methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(5-bromanylfuran-2-yl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(5-bromo-2-furyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(5-bromo-2-furanyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(5-bromofuran-2-yl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(5-bromo-2-furyl)methylamino]-3-(2-thienyl)propionic acid Formula: C12H12BrNO3S MolecularWeight: 330.19758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(CC(=O)O)NCC2=CC=C(O2)Br

Isomeric SMILES

C1=CSC(=C1)C(CC(=O)O)NCC2=CC=C(O2)Br

InChI

InChI=1S/C12H12BrNO3S/c13-11-4-3-8(17-11)7-14-9(6-12(15)16)10-2-1-5-18-10/h1-5,9,14H,6-7H2,(H,15,16)