[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 3-ethoxy-4-(2-morpholino-2-oxo-ethoxy)benzoate CAS Name: 3-ethoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]benzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-keto-2-morpholino-ethoxy)benzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C21H22ClNO7S MolecularWeight: 467.91988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl)OCC(=O)N3CCOCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl)OCC(=O)N3CCOCC3

InChI

InChI=1S/C21H22ClNO7S/c1-2-28-17-11-14(21(26)30-12-15(24)18-5-6-19(22)31-18)3-4-16(17)29-13-20(25)23-7-9-27-10-8-23/h3-6,11H,2,7-10,12-13H2,1H3