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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

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