(2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 5-aminocarbonyl-1-methyl-pyrrole-3-sulfonate

Systemtic Name: (2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 5-aminocarbonyl-1-methyl-pyrrole-3-sulfonate Openeye Name: (4-isopropyl-2-oxo-chromen-7-yl) 5-carbamoyl-1-methyl-pyrrole-3-sulfonate CAS Name: 5-carbamoyl-1-methyl-3-pyrrolesulfonic acid (2-oxo-4-propan-2-yl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propan-2-ylchromen-7-yl) 5-carbamoyl-1-methylpyrrole-3-sulfonate Traditional Name: 5-carbamoyl-1-methyl-pyrrole-3-sulfonic acid (4-isopropyl-2-keto-chromen-7-yl) ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C18H18N2O6S/c1-10(2)14-8-17(21)25-16-6-11(4-5-13(14)16)26-27(23,24)12-7-15(18(19)22)20(3)9-12/h4-10H,1-3H3,(H2,19,22)