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

Systemtic Name: dimethyl 3-methyl-5-[2-(4-oxidanylidene-4-phenyl-butanoyl)oxyethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-(4-oxo-4-phenyl-butanoyl)oxyacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(1,4-dioxo-4-phenylbutoxy)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-(4-oxo-4-phenylbutanoyl)oxyacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-keto-4-phenyl-butanoyl)oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H21NO8S MolecularWeight: 447.45834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO8S/c1-12-17(20(26)28-2)19(31-18(12)21(27)29-3)22-15(24)11-30-16(25)10-9-14(23)13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H,22,24)