2-(8-methyl-3-oxidanylidene-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-2-yl)ethanoic acid

Systemtic Name: 2-(8-methyl-3-oxidanylidene-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-2-yl)ethanoic acid Openeye Name: 2-(8-methyl-3-oxo-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-2-yl)acetic acid CAS Name: 2-(8-methyl-3-oxo-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-2-yl)acetic acid IUPAC Name: 2-(8-methyl-3-oxo-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-2-yl)acetic acid Traditional Name: 2-(3-keto-8-methyl-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-2-yl)acetic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)CCC3C2=NN(C(=O)C3)CC(=O)O

Isomeric SMILES

CC1=CC2=C(S1)CCC3C2=NN(C(=O)C3)CC(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-7-4-9-10(19-7)3-2-8-5-11(16)15(6-12(17)18)14-13(8)9/h4,8H,2-3,5-6H2,1H3,(H,17,18)