2-(4-oxidanylidene-2-propyl-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)ethanoic acid

Systemtic Name: 2-(4-oxidanylidene-2-propyl-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)ethanoic acid Openeye Name: 2-(4-oxo-2-propyl-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)acetic acid CAS Name: 2-(4-oxo-2-propyl-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)acetic acid IUPAC Name: 2-(4-oxo-2-propyl-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)acetic acid Traditional Name: 2-(4-keto-2-propyl-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)acetic acid Formula: C13H16O3S2 MolecularWeight: 284.39434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(S1)SCCC(C2=O)CC(=O)O

Isomeric SMILES

CCCC1=CC2=C(S1)SCCC(C2=O)CC(=O)O

InChI

InChI=1S/C13H16O3S2/c1-2-3-9-7-10-12(16)8(6-11(14)15)4-5-17-13(10)18-9/h7-8H,2-6H2,1H3,(H,14,15)