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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(NC2=C(C1=O)CSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CCC(C)C1=C(NC2=C(C1=O)CSC3=CC=CC=C32)C(=O)O

InChI

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