[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [(1S)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [(2S)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [(1S)-2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C15H15ClN2O6S MolecularWeight: 386.8074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C15H15ClN2O6S/c1-8-6-13(18-24-8)17-14(19)9(2)23-15(20)11-7-10(25(3,21)22)4-5-12(11)16/h4-7,9H,1-3H3,(H,17,18,19)/t9-/m0/s1