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

Systemtic Name: (E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)azanidylsulfonyl]phenyl]prop-2-enoate Openeye Name: (E)-3-[4-(3-methylisoxazol-5-yl)azanidylsulfonylphenyl]prop-2-enoate CAS Name: (E)-3-[4-[(3-methyl-5-isoxazolyl)azanidylsulfonyl]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-[(3-methyl-1,2-oxazol-5-yl)azanidylsulfonyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(3-methylisoxazol-5-yl)azanidylsulfonylphenyl]acrylate Formula: C13H10N2O5S-2 MolecularWeight: 306.2939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5S/c1-9-8-12(20-14-9)15-21(18,19)11-5-2-10(3-6-11)4-7-13(16)17/h2-8H,1H3,(H2,14,15,16,17)/p-2/b7-4+