4,4-dimethyl-8-methylsulfonyl-pyrrolo[2,1-c][1,4]benzoxazine-6-carboxylic acid

Systemtic Name: 4,4-dimethyl-8-methylsulfonyl-pyrrolo[2,1-c][1,4]benzoxazine-6-carboxylic acid Openeye Name: 4,4-dimethyl-8-methylsulfonyl-pyrrolo[2,1-c][1,4]benzoxazine-6-carboxylic acid CAS Name: 4,4-dimethyl-8-methylsulfonyl-6-pyrrolo[2,1-c][1,4]benzoxazinecarboxylic acid IUPAC Name: 4,4-dimethyl-8-methylsulfonylpyrrolo[2,1-c][1,4]benzoxazine-6-carboxylic acid Traditional Name: 8-mesyl-4,4-dimethyl-pyrrolo[2,1-c][1,4]benzoxazine-6-carboxylic acid Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CN2C3=C(O1)C(=CC(=C3)S(=O)(=O)C)C(=O)O)C

Isomeric SMILES

CC1(C2=CC=CN2C3=C(O1)C(=CC(=C3)S(=O)(=O)C)C(=O)O)C

InChI

InChI=1S/C15H15NO5S/c1-15(2)12-5-4-6-16(12)11-8-9(22(3,19)20)7-10(14(17)18)13(11)21-15/h4-8H,1-3H3,(H,17,18)