(2S)-N-(3-chloranyl-4-methyl-phenyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-methyl-phenyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-(3-chloro-4-methyl-phenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-(3-chloro-4-methylphenyl)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-(3-chloro-4-methylphenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-(3-chloro-4-methyl-phenyl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O3S/c1-14-8-9-15(12-17(14)21)22-20(25)18(10-11-27-2)23-19(24)13-26-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13H2,1-2H3,(H,22,25)(H,23,24)/t18-/m0/s1