2-(5-bromanylthiophen-2-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(5-bromanylthiophen-2-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(5-bromothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(5-bromo-2-thiophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(5-bromothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(5-bromothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H12BrNO3S MolecularWeight: 366.22968

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=C(S3)Br)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=C(S3)Br)C(=O)O

InChI

InChI=1S/C15H12BrNO3S/c16-13-6-5-12(21-13)14(18)17-8-10-4-2-1-3-9(10)7-11(17)15(19)20/h1-6,11H,7-8H2,(H,19,20)