3-(5-bromanyl-1-benzothiophen-3-yl)-2-formamido-propanoic acid

Systemtic Name: 3-(5-bromanyl-1-benzothiophen-3-yl)-2-formamido-propanoic acid Openeye Name: 3-(5-bromobenzothiophen-3-yl)-2-formamido-propanoic acid CAS Name: 3-(5-bromo-1-benzothiophen-3-yl)-2-formamidopropanoic acid IUPAC Name: 3-(5-bromo-1-benzothiophen-3-yl)-2-formamidopropanoic acid Traditional Name: 3-(5-bromobenzothiophen-3-yl)-2-formamido-propionic acid Formula: C12H10BrNO3S MolecularWeight: 328.1817

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CS2)CC(C(=O)O)NC=O

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=CS2)CC(C(=O)O)NC=O

InChI

InChI=1S/C12H10BrNO3S/c13-8-1-2-11-9(4-8)7(5-18-11)3-10(12(16)17)14-6-15/h1-2,4-6,10H,3H2,(H,14,15)(H,16,17)