methyl 5-[(E)-[2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-yl-propylidene]amino]oxypentanoate

Systemtic Name: methyl 5-[(E)-[2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-yl-propylidene]amino]oxypentanoate Openeye Name: methyl 5-[(E)-[2-methyl-1-(4-methylsulfanylphenyl)-2-morpholino-propylidene]amino]oxypentanoate CAS Name: 5-[(E)-[2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)propylidene]amino]oxypentanoic acid methyl ester IUPAC Name: methyl 5-[(E)-[2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropylidene]amino]oxypentanoate Traditional Name: 5-[(E)-[2-methyl-1-[4-(methylthio)phenyl]-2-morpholino-propylidene]amino]oxyvaleric acid methyl ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=NOCCCCC(=O)OC)C1=CC=C(C=C1)SC)N2CCOCC2

Isomeric SMILES

CC(C)(/C(=N/OCCCCC(=O)OC)/C1=CC=C(C=C1)SC)N2CCOCC2

InChI

InChI=1S/C21H32N2O4S/c1-21(2,23-12-15-26-16-13-23)20(17-8-10-18(28-4)11-9-17)22-27-14-6-5-7-19(24)25-3/h8-11H,5-7,12-16H2,1-4H3/b22-20+