methyl 2-(5-bromanylthiophen-2-yl)carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-(5-bromanylthiophen-2-yl)carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-(5-bromothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[(5-bromo-2-thiophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(5-bromothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-(5-bromothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C16H14BrNO3S MolecularWeight: 380.25626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H14BrNO3S/c1-21-16(20)12-4-2-3-10-9-18(8-7-11(10)12)15(19)13-5-6-14(17)22-13/h2-6H,7-9H2,1H3