9-butan-2-yl-4-oxidanylidene-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid

Systemtic Name: 9-butan-2-yl-4-oxidanylidene-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid Openeye Name: 4-oxo-9-sec-butyl-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid CAS Name: 9-butan-2-yl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid IUPAC Name: 9-butan-2-yl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid Traditional Name: 4-keto-9-sec-butyl-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)SCC3=C2NC(=CC3=O)C(=O)O

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)SCC3=C2NC(=CC3=O)C(=O)O

InChI

InChI=1S/C17H17NO3S/c1-3-9(2)10-4-5-15-11(6-10)16-12(8-22-15)14(19)7-13(18-16)17(20)21/h4-7,9H,3,8H2,1-2H3,(H,18,19)(H,20,21)