(2S)-N-(1-ethanoyl-2,3-dihydroindol-5-yl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-(1-ethanoyl-2,3-dihydroindol-5-yl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-(1-acetylindolin-5-yl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-(1-acetylindolin-5-yl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)C(CCSC)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)[C@H](CCSC)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4S/c1-16(27)26-12-10-17-14-18(8-9-21(17)26)24-23(29)20(11-13-31-2)25-22(28)15-30-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15H2,1-2H3,(H,24,29)(H,25,28)/t20-/m0/s1