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

Systemtic Name: methyl 4-[[2-[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]oxyethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-(5-chloro-2-thienyl)-4-oxo-butanoyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[4-(5-chloro-2-thiophenyl)-1,4-dioxobutoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-(5-chloro-2-thienyl)-4-keto-butanoyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C19H18ClNO6S MolecularWeight: 423.86732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO6S/c1-26-19(25)13-4-2-12(3-5-13)10-21-17(23)11-27-18(24)9-6-14(22)15-7-8-16(20)28-15/h2-5,7-8H,6,9-11H2,1H3,(H,21,23)