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

Systemtic Name: methyl 3-[2-[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]oxyethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoyl]oxyacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[4-(2,5-dimethyl-3-thiophenyl)-1,4-dioxobutoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]oxyacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[4-(2,5-dimethyl-3-thienyl)-4-keto-butanoyl]oxyacetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCC(=O)C2=C(SC(=C2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCC(=O)C2=C(SC(=C2)C)C

InChI

InChI=1S/C21H23NO6S/c1-12-5-6-15(21(26)27-4)10-17(12)22-19(24)11-28-20(25)8-7-18(23)16-9-13(2)29-14(16)3/h5-6,9-10H,7-8,11H2,1-4H3,(H,22,24)