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

Systemtic Name: 2-(5-methylthiophen-2-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(5-methylthiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(5-methyl-2-thiophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(5-methylthiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(5-methylthiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

InChI

InChI=1S/C16H15NO3S/c1-10-6-7-14(21-10)15(18)17-9-12-5-3-2-4-11(12)8-13(17)16(19)20/h2-7,13H,8-9H2,1H3,(H,19,20)