4-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamothioylsulfanyl)butanoic acid

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamothioylsulfanyl)butanoic acid Openeye Name: 4-(2,3-dihydrobenzofuran-2-ylmethylcarbamothioylsulfanyl)butanoic acid CAS Name: 4-[[(2,3-dihydrobenzofuran-2-ylmethylamino)-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamothioylsulfanyl)butanoic acid Traditional Name: 4-(coumaran-2-ylmethylthiocarbamoylthio)butyric acid Formula: C14H17NO3S2 MolecularWeight: 311.41968

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C21)CNC(=S)SCCCC(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C21)CNC(=S)SCCCC(=O)O

InChI

InChI=1S/C14H17NO3S2/c16-13(17)6-3-7-20-14(19)15-9-11-8-10-4-1-2-5-12(10)18-11/h1-2,4-5,11H,3,6-9H2,(H,15,19)(H,16,17)