9-butyl-3-methyl-4-oxidanylidene-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid

Systemtic Name: 9-butyl-3-methyl-4-oxidanylidene-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid Openeye Name: 9-butyl-3-methyl-4-oxo-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid CAS Name: 9-butyl-3-methyl-4-oxo-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid IUPAC Name: 9-butyl-3-methyl-4-oxo-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid Traditional Name: 9-butyl-4-keto-3-methyl-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)SCC3=C2OC(=C(C3=O)C)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)SCC3=C2OC(=C(C3=O)C)C(=O)O

InChI

InChI=1S/C18H18O4S/c1-3-4-5-11-6-7-14-12(8-11)17-13(9-23-14)15(19)10(2)16(22-17)18(20)21/h6-8H,3-5,9H2,1-2H3,(H,20,21)