methyl 2-[(5-ethoxy-3-nitro-1H-indol-2-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(5-ethoxy-3-nitro-1H-indol-2-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(5-ethoxy-3-nitro-1H-indol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-ethoxy-3-nitro-1H-indol-2-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-ethoxy-3-nitro-1H-indol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-ethoxy-3-nitro-1H-indol-2-yl)thio]acetic acid methyl ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=C2[N+](=O)[O-])SCC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=C2[N+](=O)[O-])SCC(=O)OC

InChI

InChI=1S/C13H14N2O5S/c1-3-20-8-4-5-10-9(6-8)12(15(17)18)13(14-10)21-7-11(16)19-2/h4-6,14H,3,7H2,1-2H3