S-[1-(1H-indol-3-yl)-2-nitro-ethyl] ethanethioate

Systemtic Name: S-[1-(1H-indol-3-yl)-2-nitro-ethyl] ethanethioate Openeye Name: S-[1-(1H-indol-3-yl)-2-nitro-ethyl] ethanethioate CAS Name: ethanethioic acid S-[1-(1H-indol-3-yl)-2-nitroethyl] ester IUPAC Name: S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate Traditional Name: ethanethioic acid S-[1-(1H-indol-3-yl)-2-nitro-ethyl] ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C[N+](=O)[O-])C1=CNC2=CC=CC=C21

Isomeric SMILES

CC(=O)SC(C[N+](=O)[O-])C1=CNC2=CC=CC=C21

InChI

InChI=1S/C12H12N2O3S/c1-8(15)18-12(7-14(16)17)10-6-13-11-5-3-2-4-9(10)11/h2-6,12-13H,7H2,1H3