[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C16H13ClINO4S MolecularWeight: 477.70119

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

C1=CC(=CC(=C1)I)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C16H13ClINO4S/c17-14-6-5-13(24-14)12(20)4-7-16(22)23-9-15(21)19-11-3-1-2-10(18)8-11/h1-3,5-6,8H,4,7,9H2,(H,19,21)