dimethyl 3-methyl-5-[2-[4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoyl]oxyethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-[4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoyl]oxyethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-[4-(4-methylsulfanylphenyl)-4-oxo-butanoyl]oxyacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[4-[4-(methylthio)phenyl]-1,4-dioxobutoxy]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-[4-(4-methylsulfanylphenyl)-4-oxobutanoyl]oxyacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[4-keto-4-[4-(methylthio)phenyl]butanoyl]oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H23NO8S2 MolecularWeight: 493.54992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC)C(=O)OC

InChI

InChI=1S/C22H23NO8S2/c1-12-18(21(27)29-2)20(33-19(12)22(28)30-3)23-16(25)11-31-17(26)10-9-15(24)13-5-7-14(32-4)8-6-13/h5-8H,9-11H2,1-4H3,(H,23,25)