ethyl 5-[(4-methylsulfanylphenyl)methylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: ethyl 5-[(4-methylsulfanylphenyl)methylamino]-2-morpholin-4-yl-benzoate Openeye Name: ethyl 5-[(4-methylsulfanylphenyl)methylamino]-2-morpholino-benzoate CAS Name: 5-[[4-(methylthio)phenyl]methylamino]-2-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 5-[(4-methylsulfanylphenyl)methylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[4-(methylthio)benzyl]amino]-2-morpholino-benzoic acid ethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NCC2=CC=C(C=C2)SC)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NCC2=CC=C(C=C2)SC)N3CCOCC3

InChI

InChI=1S/C21H26N2O3S/c1-3-26-21(24)19-14-17(6-9-20(19)23-10-12-25-13-11-23)22-15-16-4-7-18(27-2)8-5-16/h4-9,14,22H,3,10-13,15H2,1-2H3