2-[2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-[(5-isoxazol-3-yl-2-thienyl)sulfonyl]-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxo-acetic acid CAS Name: 2-[2-[[5-(3-isoxazolyl)-2-thiophenyl]sulfonyl]-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid IUPAC Name: 2-[2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid Traditional Name: 2-[2-[(5-isoxazol-3-yl-2-thienyl)sulfonyl]-3,4-dihydro-1H-isoquinolin-3-yl]-2-keto-acetic acid Formula: C18H14N2O6S2 MolecularWeight: 418.44356

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(S3)C4=NOC=C4)C(=O)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(S3)C4=NOC=C4)C(=O)C(=O)O

InChI

InChI=1S/C18H14N2O6S2/c21-17(18(22)23)14-9-11-3-1-2-4-12(11)10-20(14)28(24,25)16-6-5-15(27-16)13-7-8-26-19-13/h1-8,14H,9-10H2,(H,22,23)