methyl (2S)-2-[(4-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(4-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(4-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-butylbenzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C17H25NO3S/c1-4-5-6-13-7-9-14(10-8-13)16(19)18-15(11-12-22-3)17(20)21-2/h7-10,15H,4-6,11-12H2,1-3H3,(H,18,19)/t15-/m0/s1