5-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid

Systemtic Name: 5-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid Openeye Name: 5-methyl-4-oxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-b]pyridine-3-carboxylic acid CAS Name: 5-methyl-4-oxo-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid IUPAC Name: 5-methyl-4-oxo-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid Traditional Name: 4-keto-5-methyl-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-b]pyridine-3-carboxylic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2=C1C3=C(S2)NC=C(C3=O)C(=O)O

Isomeric SMILES

CC1CCCC2=C1C3=C(S2)NC=C(C3=O)C(=O)O

InChI

InChI=1S/C13H13NO3S/c1-6-3-2-4-8-9(6)10-11(15)7(13(16)17)5-14-12(10)18-8/h5-6H,2-4H2,1H3,(H,14,15)(H,16,17)