1-[4,5-bis(methylsulfonyl)-4,5-dihydro-1,3-thiazol-2-yl]ethyl-(4-methylsulfonylphenyl)carbamothioic S-acid

Systemtic Name: 1-[4,5-bis(methylsulfonyl)-4,5-dihydro-1,3-thiazol-2-yl]ethyl-(4-methylsulfonylphenyl)carbamothioic S-acid Openeye Name: 1-[4,5-bis(methylsulfonyl)-4,5-dihydrothiazol-2-yl]ethyl-(4-methylsulfonylphenyl)carbamothioic S-acid CAS Name: 1-[4,5-bis(methylsulfonyl)-4,5-dihydrothiazol-2-yl]ethyl-(4-methylsulfonylphenyl)carbamothioic S-acid IUPAC Name: 1-[4,5-bis(methylsulfonyl)-4,5-dihydro-1,3-thiazol-2-yl]ethyl-(4-methylsulfonylphenyl)carbamothioic S-acid Traditional Name: 1-(4,5-dimesyl-2-thiazolin-2-yl)ethyl-(4-mesylphenyl)thiocarbamic S-acid Formula: C15H20N2O7S5 MolecularWeight: 500.6535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(C(S1)S(=O)(=O)C)S(=O)(=O)C)N(C2=CC=C(C=C2)S(=O)(=O)C)C(=O)S

Isomeric SMILES

CC(C1=NC(C(S1)S(=O)(=O)C)S(=O)(=O)C)N(C2=CC=C(C=C2)S(=O)(=O)C)C(=O)S

InChI

InChI=1S/C15H20N2O7S5/c1-9(12-16-13(28(3,21)22)14(26-12)29(4,23)24)17(15(18)25)10-5-7-11(8-6-10)27(2,19)20/h5-9,13-14H,1-4H3,(H,18,25)