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

Systemtic Name: methyl 2-[(5-nitrofuran-2-yl)carbonylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O6S/c1-28-21(25)18-14-8-7-13(12-5-3-2-4-6-12)11-16(14)30-20(18)22-19(24)15-9-10-17(29-15)23(26)27/h2-6,9-10,13H,7-8,11H2,1H3,(H,22,24)