methyl 2-[butanoyl-(4-methylsulfanylphenyl)amino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[butanoyl-(4-methylsulfanylphenyl)amino]-4-methyl-pentanoate Openeye Name: methyl 2-(N-butanoyl-4-methylsulfanyl-anilino)-4-methyl-pentanoate CAS Name: 4-methyl-2-[4-(methylthio)-N-(1-oxobutyl)anilino]pentanoic acid methyl ester IUPAC Name: methyl 2-(N-butanoyl-4-methylsulfanylanilino)-4-methylpentanoate Traditional Name: 2-[N-butyryl-4-(methylthio)anilino]-4-methyl-valeric acid methyl ester Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC=C(C=C1)SC)C(CC(C)C)C(=O)OC

Isomeric SMILES

CCCC(=O)N(C1=CC=C(C=C1)SC)C(CC(C)C)C(=O)OC

InChI

InChI=1S/C18H27NO3S/c1-6-7-17(20)19(14-8-10-15(23-5)11-9-14)16(12-13(2)3)18(21)22-4/h8-11,13,16H,6-7,12H2,1-5H3