ethyl 5-[2-(4-chlorophenyl)sulfanylethanoylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: ethyl 5-[2-(4-chlorophenyl)sulfanylethanoylamino]-2-morpholin-4-yl-benzoate Openeye Name: ethyl 5-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-2-morpholino-benzoate CAS Name: 5-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-2-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[2-[(4-chlorophenyl)thio]acetyl]amino]-2-morpholino-benzoic acid ethyl ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=CC=C(C=C2)Cl)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=CC=C(C=C2)Cl)N3CCOCC3

InChI

InChI=1S/C21H23ClN2O4S/c1-2-28-21(26)18-13-16(5-8-19(18)24-9-11-27-12-10-24)23-20(25)14-29-17-6-3-15(22)4-7-17/h3-8,13H,2,9-12,14H2,1H3,(H,23,25)