3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-5-phenyl-2-thenoic acid Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H18N2O3S/c24-20(25)19-17(12-18(27-19)15-7-2-1-3-8-15)22-21(26)23-11-10-14-6-4-5-9-16(14)13-23/h1-9,12H,10-11,13H2,(H,22,26)(H,24,25)