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

Systemtic Name: 5-(8-methyl-3-oxidanylidene-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-2-yl)pentanoic acid Openeye Name: 5-(8-methyl-3-oxo-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-2-yl)pentanoic acid CAS Name: 5-(8-methyl-3-oxo-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-2-yl)pentanoic acid IUPAC Name: 5-(8-methyl-3-oxo-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-2-yl)pentanoic acid Traditional Name: 5-(3-keto-8-methyl-4,4a,5,6-tetrahydrothieno[2,3-h]cinnolin-2-yl)valeric acid Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c1-10-8-12-13(22-10)6-5-11-9-14(19)18(17-16(11)12)7-3-2-4-15(20)21/h8,11H,2-7,9H2,1H3,(H,20,21)