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

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-nitro-3-sulfanyl-propanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-nitro-3-sulfanyl-propanoate CAS Name: 3-(1H-indol-3-yl)-3-mercapto-2-nitropropanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-nitro-3-sulfanylpropanoate Traditional Name: 3-(1H-indol-3-yl)-3-mercapto-2-nitro-propionic acid methyl ester Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4S/c1-18-12(15)10(14(16)17)11(19)8-6-13-9-5-3-2-4-7(8)9/h2-6,10-11,13,19H,1H3