methyl 2-[2-[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-(5-chloro-2-thienyl)-4-oxo-butanoyl]oxyacetyl]amino]benzoate CAS Name: 2-[[2-[4-(5-chloro-2-thiophenyl)-1,4-dioxobutoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]oxyacetyl]amino]benzoate Traditional Name: 2-[[2-[4-(5-chloro-2-thienyl)-4-keto-butanoyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C18H16ClNO6S MolecularWeight: 409.84074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C18H16ClNO6S/c1-25-18(24)11-4-2-3-5-12(11)20-16(22)10-26-17(23)9-6-13(21)14-7-8-15(19)27-14/h2-5,7-8H,6,9-10H2,1H3,(H,20,22)