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

Systemtic Name: (4-ethanoylphenyl) (2S)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (4-acetylphenyl) (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(o-anisoylamino)butyric acid (4-acetylphenyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-14(23)15-8-10-16(11-9-15)27-21(25)18(12-13-28-3)22-20(24)17-6-4-5-7-19(17)26-2/h4-11,18H,12-13H2,1-3H3,(H,22,24)/t18-/m0/s1