methyl 3-(1-ethanoylindol-3-yl)-3-ethanoylsulfanyl-2-nitro-propanoate

Systemtic Name: methyl 3-(1-ethanoylindol-3-yl)-3-ethanoylsulfanyl-2-nitro-propanoate Openeye Name: methyl 3-(1-acetylindol-3-yl)-3-acetylsulfanyl-2-nitro-propanoate CAS Name: 3-(1-acetyl-3-indolyl)-3-(acetylthio)-2-nitropropanoic acid methyl ester IUPAC Name: methyl 3-(1-acetylindol-3-yl)-3-acetylsulfanyl-2-nitropropanoate Traditional Name: 3-(1-acetylindol-3-yl)-3-(acetylthio)-2-nitro-propionic acid methyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)C(C(C(=O)OC)[N+](=O)[O-])SC(=O)C

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)C(C(C(=O)OC)[N+](=O)[O-])SC(=O)C

InChI

InChI=1S/C16H16N2O6S/c1-9(19)17-8-12(11-6-4-5-7-13(11)17)15(25-10(2)20)14(18(22)23)16(21)24-3/h4-8,14-15H,1-3H3