[2-[5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-[5-(2-morpholino-2-oxo-ethyl)-2-thienyl]-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-[5-[2-(4-morpholinyl)-2-oxoethyl]-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-keto-2-[5-(2-keto-2-morpholino-ethyl)-2-thienyl]ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(S2)CC(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(S2)CC(=O)N3CCOCC3)C

InChI

InChI=1S/C21H23NO5S/c1-14-9-15(2)11-16(10-14)21(25)27-13-18(23)19-4-3-17(28-19)12-20(24)22-5-7-26-8-6-22/h3-4,9-11H,5-8,12-13H2,1-2H3