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

Systemtic Name: (4-methylphenyl)methyl (2S)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: p-tolylmethyl (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(o-anisoylamino)butyric acid (4-methylbenzyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C21H25NO4S/c1-15-8-10-16(11-9-15)14-26-21(24)18(12-13-27-3)22-20(23)17-6-4-5-7-19(17)25-2/h4-11,18H,12-14H2,1-3H3,(H,22,23)/t18-/m0/s1