phenacyl (2R)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC=C1C(=O)N[C@H](CCSC)C(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23NO5S/c1-26-19-11-7-6-10-16(19)20(24)22-17(12-13-28-2)21(25)27-14-18(23)15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3,(H,22,24)/t17-/m1/s1