methyl 2-[(3-chloranyl-2,6-dimethyl-phenyl)-(2-heptanoylsulfanylethanoyl)amino]ethanoate

Systemtic Name: methyl 2-[(3-chloranyl-2,6-dimethyl-phenyl)-(2-heptanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(3-chloro-N-(2-heptanoylsulfanylacetyl)-2,6-dimethyl-anilino)acetate CAS Name: 2-(3-chloro-2,6-dimethyl-N-[1-oxo-2-(1-oxoheptylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-chloro-N-(2-heptanoylsulfanylacetyl)-2,6-dimethylanilino)acetate Traditional Name: 2-(3-chloro-N-[2-(enanthylthio)acetyl]-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C20H28ClNO4S MolecularWeight: 413.95862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)SCC(=O)N(CC(=O)OC)C1=C(C=CC(=C1C)Cl)C

Isomeric SMILES

CCCCCCC(=O)SCC(=O)N(CC(=O)OC)C1=C(C=CC(=C1C)Cl)C

InChI

InChI=1S/C20H28ClNO4S/c1-5-6-7-8-9-19(25)27-13-17(23)22(12-18(24)26-4)20-14(2)10-11-16(21)15(20)3/h10-11H,5-9,12-13H2,1-4H3