(2S)-2-[5-(furan-2-ylcarbonyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[5-(furan-2-ylcarbonyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[5-(furan-2-carbonyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-4-methyl-pentanoic acid CAS Name: (2S)-2-[5-[2-furanyl(oxo)methyl]-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-4-methylpentanoic acid IUPAC Name: (2S)-2-[5-(furan-2-carbonyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-4-methylpentanoic acid Traditional Name: (2S)-2-[5-(2-furoyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-4-methyl-valeric acid Formula: C14H18N2O4S2 MolecularWeight: 342.43372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N1CN(C(=S)SC1)C(=O)C2=CC=CO2

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)N1CN(C(=S)SC1)C(=O)C2=CC=CO2

InChI

InChI=1S/C14H18N2O4S2/c1-9(2)6-10(13(18)19)15-7-16(14(21)22-8-15)12(17)11-4-3-5-20-11/h3-5,9-10H,6-8H2,1-2H3,(H,18,19)/t10-/m0/s1