methyl 2-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]-5-morpholin-4-yl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CSCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O4S/c1-27-21(26)18-12-17(24-8-10-28-11-9-24)6-7-19(18)23-20(25)14-29-13-15-2-4-16(22)5-3-15/h2-7,12H,8-11,13-14H2,1H3,(H,23,25)