2-[(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)sulfonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)sulfonyl-methyl-amino]acetic acid CAS Name: 2-[(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)sulfonyl-methylamino]acetic acid IUPAC Name: 2-[(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)sulfonyl-methylamino]acetic acid Traditional Name: 2-[(4-carbethoxy-2,5-dimethyl-1H-pyrrol-3-yl)sulfonyl-methyl-amino]acetic acid Formula: C12H18N2O6S MolecularWeight: 318.34612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N(C)CC(=O)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1S(=O)(=O)N(C)CC(=O)O)C)C

InChI

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