S-[(1R)-1-(1-ethanoylindol-3-yl)-3-methoxy-2-nitro-3-oxidanyl-prop-2-enyl] ethanethioate

Systemtic Name: S-[(1R)-1-(1-ethanoylindol-3-yl)-3-methoxy-2-nitro-3-oxidanyl-prop-2-enyl] ethanethioate Openeye Name: S-[(1R)-1-(1-acetylindol-3-yl)-3-hydroxy-3-methoxy-2-nitro-allyl] ethanethioate CAS Name: ethanethioic acid S-[(1R)-1-(1-acetyl-3-indolyl)-3-hydroxy-3-methoxy-2-nitroprop-2-enyl] ester IUPAC Name: S-[(1R)-1-(1-acetylindol-3-yl)-3-hydroxy-3-methoxy-2-nitroprop-2-enyl] ethanethioate Traditional Name: ethanethioic acid S-[(1R)-1-(1-acetylindol-3-yl)-3-hydroxy-3-methoxy-2-nitro-allyl] ester Formula: C16H16N2O6S MolecularWeight: 364.37304

Click to see the large picture

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@H](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/h4-8,15,21H,1-3H3/t15-/m1/s1