2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S/c1-14-23-13-18(26(29)30)25(14)11-12-31-22(28)19-16-9-5-6-10-17(16)32-21(19)24-20(27)15-7-3-2-4-8-15/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,24,27)