methyl 6-tert-butyl-2-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O7S/c1-11-15(24(28)29)8-12(9-16(11)25(30)31)19(26)23-20-18(21(27)32-5)14-7-6-13(22(2,3)4)10-17(14)33-20/h8-9,13H,6-7,10H2,1-5H3,(H,23,26)