ethyl 6-tert-butyl-2-[(2,4-dinitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[(2,4-dinitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[(2,4-dinitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[(2,4-dinitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[(2,4-dinitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[(2,4-dinitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O7S/c1-5-32-21(27)18-15-8-6-12(22(2,3)4)10-17(15)33-20(18)23-19(26)14-9-7-13(24(28)29)11-16(14)25(30)31/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,23,26)