(phenylmethyl) 2-[[2-(2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) 2-[[2-(2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]propanoate Openeye Name: benzyl 2-[(3-acetylsulfanyl-2-indan-1-yl-propanoyl)amino]propanoate CAS Name: 2-[[3-(acetylthio)-2-(2,3-dihydro-1H-inden-1-yl)-1-oxopropyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-acetylsulfanyl-2-(2,3-dihydro-1H-inden-1-yl)propanoyl]amino]propanoate Traditional Name: 2-[[3-(acetylthio)-2-indan-1-yl-propanoyl]amino]propionic acid benzyl ester Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CSC(=O)C)C2CCC3=CC=CC=C23

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CSC(=O)C)C2CCC3=CC=CC=C23

InChI

InChI=1S/C24H27NO4S/c1-16(24(28)29-14-18-8-4-3-5-9-18)25-23(27)22(15-30-17(2)26)21-13-12-19-10-6-7-11-20(19)21/h3-11,16,21-22H,12-15H2,1-2H3,(H,25,27)