2-(hexanoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid

Systemtic Name: 2-(hexanoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid Openeye Name: 2-(hexanoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid CAS Name: 5,5-dimethyl-2-(1-oxohexylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid IUPAC Name: 2-(hexanoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid Traditional Name: 2-(caproylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C2=C(S1)COC(C2)(C)C)C(=O)O

Isomeric SMILES

CCCCCC(=O)NC1=C(C2=C(S1)COC(C2)(C)C)C(=O)O

InChI

InChI=1S/C16H23NO4S/c1-4-5-6-7-12(18)17-14-13(15(19)20)10-8-16(2,3)21-9-11(10)22-14/h4-9H2,1-3H3,(H,17,18)(H,19,20)