methyl 3-(5-nitro-3-phenylsulfanyl-1H-indol-2-yl)propanoate

Systemtic Name: methyl 3-(5-nitro-3-phenylsulfanyl-1H-indol-2-yl)propanoate Openeye Name: methyl 3-(5-nitro-3-phenylsulfanyl-1H-indol-2-yl)propanoate CAS Name: 3-[5-nitro-3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(5-nitro-3-phenylsulfanyl-1H-indol-2-yl)propanoate Traditional Name: 3-[5-nitro-3-(phenylthio)-1H-indol-2-yl]propionic acid methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O4S/c1-24-17(21)10-9-16-18(25-13-5-3-2-4-6-13)14-11-12(20(22)23)7-8-15(14)19-16/h2-8,11,19H,9-10H2,1H3