4-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]carbamoyl]benzene-1,3-dicarboxylate

Systemtic Name: 4-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]carbamoyl]benzene-1,3-dicarboxylate Openeye Name: 4-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thienyl]carbamoyl]benzene-1,3-dicarboxylate CAS Name: 4-[[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thiophenyl]amino]-oxomethyl]benzene-1,3-dicarboxylate IUPAC Name: 4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzene-1,3-dicarboxylate Traditional Name: 4-[(3,5-dicarbethoxy-4-methyl-2-thienyl)carbamoyl]isophthalate Formula: C20H17NO9S-2 MolecularWeight: 447.41528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C=C(C=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C=C(C=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C20H19NO9S/c1-4-29-19(27)13-9(3)14(20(28)30-5-2)31-16(13)21-15(22)11-7-6-10(17(23)24)8-12(11)18(25)26/h6-8H,4-5H2,1-3H3,(H,21,22)(H,23,24)(H,25,26)/p-2