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

Systemtic Name: methyl 6-tert-butyl-2-[[5-(4-methoxy-2-nitro-phenyl)furan-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[[5-(4-methoxy-2-nitro-phenyl)furan-2-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[[5-(4-methoxy-2-nitrophenyl)-2-furanyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[[5-(4-methoxy-2-nitro-phenyl)-2-furoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C26H28N2O7S MolecularWeight: 512.57472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H28N2O7S/c1-26(2,3)14-6-8-17-21(12-14)36-24(22(17)25(30)34-5)27-23(29)20-11-10-19(35-20)16-9-7-15(33-4)13-18(16)28(31)32/h7,9-11,13-14H,6,8,12H2,1-5H3,(H,27,29)