(4-aminocarbonyl-2-nitro-phenyl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c18-16(20)10-5-6-11(14(7-10)19(22)23)8-24-17(21)13-9-25-15-4-2-1-3-12(13)15/h5-7,9H,1-4,8H2,(H2,18,20)