2-[[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]methyl]-4-nitro-phenolate Formula: C17H17N2O4S- MolecularWeight: 345.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H18N2O4S/c1-10-2-5-15-11(6-10)8-16(24-15)17(21)18-9-12-7-13(19(22)23)3-4-14(12)20/h3-4,7-8,10,20H,2,5-6,9H2,1H3,(H,18,21)/p-1/t10-/m0/s1