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

Systemtic Name: methyl 2-[2-(3-chloranyl-4-thiomorpholin-4-yl-phenyl)propanoylamino]ethanoate Openeye Name: methyl 2-[2-(3-chloro-4-thiomorpholino-phenyl)propanoylamino]acetate CAS Name: 2-[[2-(3-chloro-4-thiomorpholin-4-ylphenyl)-1-oxopropyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-chloro-4-thiomorpholin-4-ylphenyl)propanoylamino]acetate Traditional Name: 2-[2-(3-chloro-4-thiomorpholino-phenyl)propanoylamino]acetic acid methyl ester Formula: C16H21ClN2O3S MolecularWeight: 356.86754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O3S/c1-11(16(21)18-10-15(20)22-2)12-3-4-14(13(17)9-12)19-5-7-23-8-6-19/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,21)