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

Systemtic Name: 4-azanyl-2-[5-(furan-2-ylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[5-(2-furylmethyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-4-oxo-butanoic acid CAS Name: 4-amino-2-[5-(2-furanylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[5-(furan-2-ylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-4-oxobutanoic acid Traditional Name: 4-amino-2-[5-(2-furfuryl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-4-keto-butyric acid Formula: C12H15N3O4S2 MolecularWeight: 329.3952

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CSC(=S)N1CC2=CC=CO2)C(CC(=O)N)C(=O)O

Isomeric SMILES

C1N(CSC(=S)N1CC2=CC=CO2)C(CC(=O)N)C(=O)O

InChI

InChI=1S/C12H15N3O4S2/c13-10(16)4-9(11(17)18)15-6-14(12(20)21-7-15)5-8-2-1-3-19-8/h1-3,9H,4-7H2,(H2,13,16)(H,17,18)