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

Systemtic Name: 6-(8-methyl-3-oxidanylidene-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-2-yl)hexanoic acid Openeye Name: 6-(8-methyl-3-oxo-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-2-yl)hexanoic acid CAS Name: 6-(8-methyl-3-oxo-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-2-yl)hexanoic acid IUPAC Name: 6-(8-methyl-3-oxo-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-2-yl)hexanoic acid Traditional Name: 6-(3-keto-8-methyl-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-2-yl)hexanoic acid Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-11-9-13-14(23-11)7-6-12-10-15(20)19(18-17(12)13)8-4-2-3-5-16(21)22/h9,12H,2-8,10H2,1H3,(H,21,22)