(5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl) 2-chloranyl-4-methylsulfonyl-benzoate

Systemtic Name: (5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl) 2-chloranyl-4-methylsulfonyl-benzoate Openeye Name: (5-methyl-2-pyrazin-2-yl-thiazol-4-yl) 2-chloro-4-methylsulfonyl-benzoate CAS Name: 2-chloro-4-methylsulfonylbenzoic acid [5-methyl-2-(2-pyrazinyl)-4-thiazolyl] ester IUPAC Name: (5-methyl-2-pyrazin-2-yl-1,3-thiazol-4-yl) 2-chloro-4-methylsulfonylbenzoate Traditional Name: 2-chloro-4-mesyl-benzoic acid (5-methyl-2-pyrazin-2-yl-thiazol-4-yl) ester Formula: C16H12ClN3O4S2 MolecularWeight: 409.86718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C2=NC=CN=C2)OC(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(N=C(S1)C2=NC=CN=C2)OC(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C16H12ClN3O4S2/c1-9-14(20-15(25-9)13-8-18-5-6-19-13)24-16(21)11-4-3-10(7-12(11)17)26(2,22)23/h3-8H,1-2H3