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

Systemtic Name: methyl 2-[(3-chloranyl-2,6-dimethyl-phenyl)-(2-hexanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(3-chloro-N-(2-hexanoylsulfanylacetyl)-2,6-dimethyl-anilino)acetate CAS Name: 2-(3-chloro-2,6-dimethyl-N-[1-oxo-2-(1-oxohexylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-chloro-N-(2-hexanoylsulfanylacetyl)-2,6-dimethylanilino)acetate Traditional Name: 2-(N-[2-(caproylthio)acetyl]-3-chloro-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C19H26ClNO4S MolecularWeight: 399.93204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClNO4S/c1-5-6-7-8-18(24)26-12-16(22)21(11-17(23)25-4)19-13(2)9-10-15(20)14(19)3/h9-10H,5-8,11-12H2,1-4H3