methyl (2S)-2-[[4-methanoyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfinyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-methanoyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfinyl-butanoate Openeye Name: methyl (2S)-2-[[4-formyl-2-(o-tolyl)benzoyl]amino]-4-methylsulfinyl-butanoate CAS Name: (2S)-2-[[[4-formyl-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-methylsulfinylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-formyl-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfinylbutanoate Traditional Name: (2S)-2-[[4-formyl-2-(o-tolyl)benzoyl]amino]-4-methylsulfinyl-butyric acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C=O)C(=O)NC(CCS(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C=O)C(=O)N[C@@H](CCS(=O)C)C(=O)OC

InChI

InChI=1S/C21H23NO5S/c1-14-6-4-5-7-16(14)18-12-15(13-23)8-9-17(18)20(24)22-19(21(25)27-2)10-11-28(3)26/h4-9,12-13,19H,10-11H2,1-3H3,(H,22,24)/t19-,28?/m0/s1