methyl 6-(2-methylbutan-2-yl)-2-[(2-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-(2-methylbutan-2-yl)-2-[(2-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-(1,1-dimethylpropyl)-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-(2-methylbutan-2-yl)-2-[[(2-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-methylbutan-2-yl)-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O5S/c1-5-22(2,3)13-10-11-15-17(12-13)30-20(18(15)21(26)29-4)23-19(25)14-8-6-7-9-16(14)24(27)28/h6-9,13H,5,10-12H2,1-4H3,(H,23,25)