5-[[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]sulfonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]sulfonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thienyl]sulfonylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thiophenyl]sulfonylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(3,5-dicarbomethoxy-4-methyl-2-thienyl)sulfonylamino]isophthalic acid Formula: C17H15NO10S2 MolecularWeight: 457.4317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=O)OC

InChI

InChI=1S/C17H15NO10S2/c1-7-11(15(23)27-2)17(29-12(7)16(24)28-3)30(25,26)18-10-5-8(13(19)20)4-9(6-10)14(21)22/h4-6,18H,1-3H3,(H,19,20)(H,21,22)