ethyl 2-ethanoylimino-7-[2-(2-nitrophenyl)carbonylhydrazinyl]-5,6-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-ethanoylimino-7-[2-(2-nitrophenyl)carbonylhydrazinyl]-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetylimino-7-[2-(2-nitrobenzoyl)hydrazino]-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 2-acetylimino-7-[[(2-nitrophenyl)-oxomethyl]hydrazo]-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetylimino-7-[2-(2-nitrobenzoyl)hydrazinyl]-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 2-acetylimino-7-[N'-(2-nitrobenzoyl)hydrazino]-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCCC(=C2SC1=NC(=O)C)NNC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C2CCCC(=C2SC1=NC(=O)C)NNC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6S/c1-3-30-20(27)16-13-8-6-9-14(17(13)31-19(16)21-11(2)25)22-23-18(26)12-7-4-5-10-15(12)24(28)29/h4-5,7,10,22H,3,6,8-9H2,1-2H3,(H,23,26)