4-ethanoyl-6-[[3-methyl-4-(methylamino)-2-(thiophen-2-ylmethoxy)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-ethanoyl-6-[[3-methyl-4-(methylamino)-2-(thiophen-2-ylmethoxy)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-acetyl-6-[[3-methyl-4-(methylamino)-2-(2-thienylmethoxy)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid CAS Name: 4-acetyl-6-[[3-methyl-4-(methylamino)-2-(thiophen-2-ylmethoxy)anilino]-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-acetyl-6-[[3-methyl-4-(methylamino)-2-(thiophen-2-ylmethoxy)phenyl]carbamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-acetyl-6-[[3-methyl-4-(methylamino)-2-(2-thenyloxy)phenyl]carbamoyl]isophthalic acid Formula: C24H22N2O7S MolecularWeight: 482.50568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OCC2=CC=CS2)NC(=O)C3=C(C=C(C(=C3)C(=O)C)C(=O)O)C(=O)O)NC

Isomeric SMILES

CC1=C(C=CC(=C1OCC2=CC=CS2)NC(=O)C3=C(C=C(C(=C3)C(=O)C)C(=O)O)C(=O)O)NC

InChI

InChI=1S/C24H22N2O7S/c1-12-19(25-3)6-7-20(21(12)33-11-14-5-4-8-34-14)26-22(28)16-9-15(13(2)27)17(23(29)30)10-18(16)24(31)32/h4-10,25H,11H2,1-3H3,(H,26,28)(H,29,30)(H,31,32)