6-thiophen-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 6-thiophen-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-(3-thienyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 6-(3-thiophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-thiophen-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-(3-thienyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C14H13NO2S MolecularWeight: 259.32352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)C3=CSC=C3)C(=O)O

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)C3=CSC=C3)C(=O)O

InChI

InChI=1S/C14H13NO2S/c16-14(17)15-5-3-11-7-10(1-2-12(11)8-15)13-4-6-18-9-13/h1-2,4,6-7,9H,3,5,8H2,(H,16,17)