4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)thiophen-2-yl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)thiophen-2-yl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thienyl]-2,4-dioxo-butanoic acid CAS Name: 4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)thiophen-2-yl]-2,4-dioxobutanoic acid Traditional Name: 4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thienyl]-2,4-diketo-butyric acid Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=CC=C(S3)C(=O)CC(=O)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=CC=C(S3)C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C17H15NO4S/c19-13(9-14(20)17(21)22)15-5-6-16(23-15)18-8-7-11-3-1-2-4-12(11)10-18/h1-6H,7-10H2,(H,21,22)