2-methylbutyl 4-[[1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]methyl]benzoate

Systemtic Name: 2-methylbutyl 4-[[1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]methyl]benzoate Openeye Name: 2-methylbutyl 4-[(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)methyl]benzoate CAS Name: 4-[(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)methyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)methyl]benzoate Traditional Name: 4-[(1,1,4-triketo-1,2,5-thiadiazolidin-2-yl)methyl]benzoic acid 2-methylbutyl ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1=CC=C(C=C1)CN2CC(=O)NS2(=O)=O

Isomeric SMILES

CCC(C)COC(=O)C1=CC=C(C=C1)CN2CC(=O)NS2(=O)=O

InChI

InChI=1S/C15H20N2O5S/c1-3-11(2)10-22-15(19)13-6-4-12(5-7-13)8-17-9-14(18)16-23(17,20)21/h4-7,11H,3,8-10H2,1-2H3,(H,16,18)