ethyl 2-[(4-methoxyphenyl)amino]-3-methylsulfanyl-hexanoate

Systemtic Name: ethyl 2-[(4-methoxyphenyl)amino]-3-methylsulfanyl-hexanoate Openeye Name: ethyl 2-(4-methoxyanilino)-3-methylsulfanyl-hexanoate CAS Name: 2-(4-methoxyanilino)-3-(methylthio)hexanoic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxyanilino)-3-methylsulfanylhexanoate Traditional Name: 3-(methylthio)-2-(p-anisidino)hexanoic acid ethyl ester Formula: C16H25NO3S MolecularWeight: 311.4396

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)OCC)NC1=CC=C(C=C1)OC)SC

Isomeric SMILES

CCCC(C(C(=O)OCC)NC1=CC=C(C=C1)OC)SC

InChI

InChI=1S/C16H25NO3S/c1-5-7-14(21-4)15(16(18)20-6-2)17-12-8-10-13(19-3)11-9-12/h8-11,14-15,17H,5-7H2,1-4H3