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

Systemtic Name: butyl 2-[(5-nitrofuran-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[(5-nitrofuran-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[(5-nitrofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-nitro-2-furoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid butyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6S/c1-2-3-10-25-18(22)15-11-6-4-5-7-13(11)27-17(15)19-16(21)12-8-9-14(26-12)20(23)24/h8-9H,2-7,10H2,1H3,(H,19,21)