4-[[5-(furan-2-ylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[5-(furan-2-ylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[5-(2-furylmethyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[5-(2-furanylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[5-(furan-2-ylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[5-(2-furfuryl)-6-thioxo-1,3,5-thiadiazinan-3-yl]methyl]cyclohexanecarboxylic acid Formula: C16H22N2O3S2 MolecularWeight: 354.48748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2CN(C(=S)SC2)CC3=CC=CO3)C(=O)O

Isomeric SMILES

C1CC(CCC1CN2CN(C(=S)SC2)CC3=CC=CO3)C(=O)O

InChI

InChI=1S/C16H22N2O3S2/c19-15(20)13-5-3-12(4-6-13)8-17-10-18(16(22)23-11-17)9-14-2-1-7-21-14/h1-2,7,12-13H,3-6,8-11H2,(H,19,20)