4-(4-ethoxyphenyl)-2-[(4-iodophenyl)carbonylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-(4-ethoxyphenyl)-2-[(4-iodophenyl)carbonylamino]thiophene-3-carboxylic acid Openeye Name: 4-(4-ethoxyphenyl)-2-[(4-iodobenzoyl)amino]thiophene-3-carboxylic acid CAS Name: 4-(4-ethoxyphenyl)-2-[[(4-iodophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-ethoxyphenyl)-2-[(4-iodobenzoyl)amino]thiophene-3-carboxylic acid Traditional Name: 2-[(4-iodobenzoyl)amino]-4-p-phenetyl-3-thenoic acid Formula: C20H16INO4S MolecularWeight: 493.31481

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C20H16INO4S/c1-2-26-15-9-5-12(6-10-15)16-11-27-19(17(16)20(24)25)22-18(23)13-3-7-14(21)8-4-13/h3-11H,2H2,1H3,(H,22,23)(H,24,25)