2-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thienyl]carbamoyl]benzoic acid CAS Name: 2-[[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[(3,5-dicarbethoxy-4-methyl-2-thienyl)carbamoyl]benzoic acid Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H19NO7S/c1-4-26-18(24)13-10(3)14(19(25)27-5-2)28-16(13)20-15(21)11-8-6-7-9-12(11)17(22)23/h6-9H,4-5H2,1-3H3,(H,20,21)(H,22,23)