methyl 4-[2-[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[4-(2,5-dimethyl-3-thiophenyl)-1,4-dioxobutoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2,5-dimethyl-3-thienyl)-4-keto-butanoyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H21NO6S/c1-12-10-16(13(2)28-12)17(22)8-9-19(24)27-11-18(23)21-15-6-4-14(5-7-15)20(25)26-3/h4-7,10H,8-9,11H2,1-3H3,(H,21,23)