2-(2-thiophen-3-ylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2-thiophen-3-ylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-(3-thienyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[1-oxo-2-(3-thiophenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2-thiophen-3-ylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-(3-thienyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CC3=CSC=C3)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)CC3=CSC=C3)C(=O)O

InChI

InChI=1S/C16H15NO3S/c18-15(7-11-5-6-21-10-11)17-9-13-4-2-1-3-12(13)8-14(17)16(19)20/h1-6,10,14H,7-9H2,(H,19,20)