3-[4-[(3-methyl-1,2-oxazol-5-yl)azanidylsulfonyl]phenyl]propanoate

Systemtic Name: 3-[4-[(3-methyl-1,2-oxazol-5-yl)azanidylsulfonyl]phenyl]propanoate Openeye Name: 3-[4-(3-methylisoxazol-5-yl)azanidylsulfonylphenyl]propanoate CAS Name: 3-[4-[(3-methyl-5-isoxazolyl)azanidylsulfonyl]phenyl]propanoate IUPAC Name: 3-[4-[(3-methyl-1,2-oxazol-5-yl)azanidylsulfonyl]phenyl]propanoate Traditional Name: 3-[4-(3-methylisoxazol-5-yl)azanidylsulfonylphenyl]propionate Formula: C13H12N2O5S-2 MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)CCC(=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)CCC(=O)[O-]

InChI

InChI=1S/C13H14N2O5S/c1-9-8-12(20-14-9)15-21(18,19)11-5-2-10(3-6-11)4-7-13(16)17/h2-3,5-6,8H,4,7H2,1H3,(H2,14,15,16,17)/p-2