(2S)-N-(3,4-dimethylphenyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-(3,4-dimethylphenyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-(3,4-dimethylphenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-(3,4-dimethylphenyl)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-(3,4-dimethylphenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-(3,4-dimethylphenyl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2)C

InChI

InChI=1S/C21H26N2O3S/c1-15-9-10-17(13-16(15)2)22-21(25)19(11-12-27-3)23-20(24)14-26-18-7-5-4-6-8-18/h4-10,13,19H,11-12,14H2,1-3H3,(H,22,25)(H,23,24)/t19-/m0/s1