[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C(C(C)C)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)[C@H](C(C)C)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3S/c1-15(2)20(26-23(28)25-18-7-5-4-6-8-18)22(27)29-13-19-14-30-21(24-19)17-11-9-16(3)10-12-17/h4-12,14-15,20H,13H2,1-3H3,(H2,25,26,28)/t20-/m0/s1