methyl 3-[2-(3-chloranyl-4-thiomorpholin-4-yl-phenyl)propanoylamino]propanoate

Systemtic Name: methyl 3-[2-(3-chloranyl-4-thiomorpholin-4-yl-phenyl)propanoylamino]propanoate Openeye Name: methyl 3-[2-(3-chloro-4-thiomorpholino-phenyl)propanoylamino]propanoate CAS Name: 3-[[2-(3-chloro-4-thiomorpholin-4-ylphenyl)-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-chloro-4-thiomorpholin-4-ylphenyl)propanoylamino]propanoate Traditional Name: 3-[2-(3-chloro-4-thiomorpholino-phenyl)propanoylamino]propionic acid methyl ester Formula: C17H23ClN2O3S MolecularWeight: 370.89412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)N2CCSCC2)Cl)C(=O)NCCC(=O)OC

Isomeric SMILES

CC(C1=CC(=C(C=C1)N2CCSCC2)Cl)C(=O)NCCC(=O)OC

InChI

InChI=1S/C17H23ClN2O3S/c1-12(17(22)19-6-5-16(21)23-2)13-3-4-15(14(18)11-13)20-7-9-24-10-8-20/h3-4,11-12H,5-10H2,1-2H3,(H,19,22)