3-[5-(furan-2-ylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-4-methylsulfanyl-butanoic acid

Systemtic Name: 3-[5-(furan-2-ylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-4-methylsulfanyl-butanoic acid Openeye Name: 3-[5-(2-furylmethyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-4-methylsulfanyl-butanoic acid CAS Name: 3-[5-(2-furanylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-4-(methylthio)butanoic acid IUPAC Name: 3-[5-(furan-2-ylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-4-methylsulfanylbutanoic acid Traditional Name: 3-[5-(2-furfuryl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-4-(methylthio)butyric acid Formula: C13H18N2O3S3 MolecularWeight: 346.48862

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(CC(=O)O)N1CN(C(=S)SC1)CC2=CC=CO2

Isomeric SMILES

CSCC(CC(=O)O)N1CN(C(=S)SC1)CC2=CC=CO2

InChI

InChI=1S/C13H18N2O3S3/c1-20-7-10(5-12(16)17)15-8-14(13(19)21-9-15)6-11-3-2-4-18-11/h2-4,10H,5-9H2,1H3,(H,16,17)