ethyl 2-[3-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]indol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]indol-1-yl]ethanoate Openeye Name: ethyl 2-[3-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]indol-1-yl]acetate CAS Name: 2-[3-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]-1-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]indol-1-yl]acetate Traditional Name: 2-[3-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]indol-1-yl]acetic acid ethyl ester Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c1-2-31-21(27)13-25-12-15(17-5-3-4-6-18(17)25)11-23-24-22(28)20-10-14-9-16(26(29)30)7-8-19(14)32-20/h3-12H,2,13H2,1H3,(H,24,28)