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

Systemtic Name: 2-[(2-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C16H13N2O5S- MolecularWeight: 345.34982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H14N2O5S/c19-14(9-5-1-3-7-11(9)18(22)23)17-15-13(16(20)21)10-6-2-4-8-12(10)24-15/h1,3,5,7H,2,4,6,8H2,(H,17,19)(H,20,21)/p-1