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

Systemtic Name: ethyl 2-[(3-nitrophenyl)methylsulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-nitrophenyl)methylsulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3-nitrophenyl)methylsulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-nitrophenyl)methylsulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-nitrobenzyl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H20N2O6S2 MolecularWeight: 424.4912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6S2/c1-2-26-18(21)16-14-8-3-4-9-15(14)27-17(16)19-28(24,25)11-12-6-5-7-13(10-12)20(22)23/h5-7,10,19H,2-4,8-9,11H2,1H3