(phenylmethyl) 3-(1-ethanoylindol-3-yl)-2-nitro-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (phenylmethyl) 3-(1-ethanoylindol-3-yl)-2-nitro-3-(phenylmethylsulfanyl)propanoate Openeye Name: benzyl 3-(1-acetylindol-3-yl)-3-benzylsulfanyl-2-nitro-propanoate CAS Name: 3-(1-acetyl-3-indolyl)-2-nitro-3-(phenylmethylthio)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1-acetylindol-3-yl)-3-benzylsulfanyl-2-nitropropanoate Traditional Name: 3-(1-acetylindol-3-yl)-3-(benzylthio)-2-nitro-propionic acid benzyl ester Formula: C27H24N2O5S MolecularWeight: 488.55486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)C(C(C(=O)OCC3=CC=CC=C3)[N+](=O)[O-])SCC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)C(C(C(=O)OCC3=CC=CC=C3)[N+](=O)[O-])SCC4=CC=CC=C4

InChI

InChI=1S/C27H24N2O5S/c1-19(30)28-16-23(22-14-8-9-15-24(22)28)26(35-18-21-12-6-3-7-13-21)25(29(32)33)27(31)34-17-20-10-4-2-5-11-20/h2-16,25-26H,17-18H2,1H3