(2S)-N-(3-ethylphenyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2

InChI

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