(2R)-1-[(7-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2R)-1-[(7-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxylic acid Openeye Name: (2R)-1-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxylic acid CAS Name: (2R)-1-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-1-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2R)-1-[(3-keto-7-methyl-4H-1,4-benzoxazin-6-yl)sulfonyl]proline Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)N3CCCC3C(=O)O)NC(=O)CO2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)N3CCC[C@@H]3C(=O)O)NC(=O)CO2

InChI

InChI=1S/C14H16N2O6S/c1-8-5-11-9(15-13(17)7-22-11)6-12(8)23(20,21)16-4-2-3-10(16)14(18)19/h5-6,10H,2-4,7H2,1H3,(H,15,17)(H,18,19)/t10-/m1/s1