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

Systemtic Name: ethyl 3-[[5-(2-nitrophenyl)furan-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 3-[[[5-(2-nitrophenyl)-2-furanyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[5-(2-nitrophenyl)-2-furoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid ethyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6S/c1-2-29-22(26)20-19(14-8-4-6-10-18(14)31-20)23-21(25)17-12-11-16(30-17)13-7-3-5-9-15(13)24(27)28/h3,5,7,9,11-12H,2,4,6,8,10H2,1H3,(H,23,25)