3-[1-[(5-bromanylthiophen-2-yl)methyl]indol-3-yl]propanoic acid

Systemtic Name: 3-[1-[(5-bromanylthiophen-2-yl)methyl]indol-3-yl]propanoic acid Openeye Name: 3-[1-[(5-bromo-2-thienyl)methyl]indol-3-yl]propanoic acid CAS Name: 3-[1-[(5-bromo-2-thiophenyl)methyl]-3-indolyl]propanoic acid IUPAC Name: 3-[1-[(5-bromothiophen-2-yl)methyl]indol-3-yl]propanoic acid Traditional Name: 3-[1-[(5-bromo-2-thienyl)methyl]indol-3-yl]propionic acid Formula: C16H14BrNO2S MolecularWeight: 364.25686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(S3)Br)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(S3)Br)CCC(=O)O

InChI

InChI=1S/C16H14BrNO2S/c17-15-7-6-12(21-15)10-18-9-11(5-8-16(19)20)13-3-1-2-4-14(13)18/h1-4,6-7,9H,5,8,10H2,(H,19,20)