methyl 1-[[5-(3-fluoranyl-4-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl]azetidine-3-carboxylate

Systemtic Name: methyl 1-[[5-(3-fluoranyl-4-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl]azetidine-3-carboxylate Openeye Name: methyl 1-[[5-(3-fluoro-4-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]carbamoyl]azetidine-3-carboxylate CAS Name: 1-[[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-2-thiazolyl]amino]-oxomethyl]-3-azetidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl]azetidine-3-carboxylate Traditional Name: 1-[[5-(3-fluoro-4-mesyl-phenyl)-4-methyl-thiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid methyl ester Formula: C17H18FN3O5S2 MolecularWeight: 427.470323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)N2CC(C2)C(=O)OC)C3=CC(=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)N2CC(C2)C(=O)OC)C3=CC(=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C17H18FN3O5S2/c1-9-14(10-4-5-13(12(18)6-10)28(3,24)25)27-16(19-9)20-17(23)21-7-11(8-21)15(22)26-2/h4-6,11H,7-8H2,1-3H3,(H,19,20,23)