2-[(4-ethoxycarbonyl-1,2,5-trimethyl-pyrrol-3-yl)sulfonylamino]ethanoic acid

Systemtic Name: 2-[(4-ethoxycarbonyl-1,2,5-trimethyl-pyrrol-3-yl)sulfonylamino]ethanoic acid Openeye Name: 2-[(4-ethoxycarbonyl-1,2,5-trimethyl-pyrrol-3-yl)sulfonylamino]acetic acid CAS Name: 2-[(4-ethoxycarbonyl-1,2,5-trimethyl-3-pyrrolyl)sulfonylamino]acetic acid IUPAC Name: 2-[(4-ethoxycarbonyl-1,2,5-trimethylpyrrol-3-yl)sulfonylamino]acetic acid Traditional Name: 2-[(4-carbethoxy-1,2,5-trimethyl-pyrrol-3-yl)sulfonylamino]acetic acid Formula: C12H18N2O6S MolecularWeight: 318.34612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)O)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NCC(=O)O)C)C)C

InChI

InChI=1S/C12H18N2O6S/c1-5-20-12(17)10-7(2)14(4)8(3)11(10)21(18,19)13-6-9(15)16/h13H,5-6H2,1-4H3,(H,15,16)