(2-benzamido-3-ethoxycarbonyl-7-oxidanyl-1-benzothiophen-6-yl)methyl-dibutyl-azanium

Systemtic Name: (2-benzamido-3-ethoxycarbonyl-7-oxidanyl-1-benzothiophen-6-yl)methyl-dibutyl-azanium Openeye Name: (2-benzamido-3-ethoxycarbonyl-7-hydroxy-benzothiophen-6-yl)methyl-dibutyl-ammonium CAS Name: (2-benzamido-3-ethoxycarbonyl-7-hydroxy-1-benzothiophen-6-yl)methyl-dibutylammonium IUPAC Name: (2-benzamido-3-ethoxycarbonyl-7-hydroxy-1-benzothiophen-6-yl)methyl-dibutylazanium Traditional Name: (2-benzamido-3-carbethoxy-7-hydroxy-benzothiophen-6-yl)methyl-dibutyl-ammonium Formula: C27H35N2O4S+ MolecularWeight: 483.6428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(C2=C(C=C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)OCC)O

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(C2=C(C=C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)OCC)O

InChI

InChI=1S/C27H34N2O4S/c1-4-7-16-29(17-8-5-2)18-20-14-15-21-22(27(32)33-6-3)26(34-24(21)23(20)30)28-25(31)19-12-10-9-11-13-19/h9-15,30H,4-8,16-18H2,1-3H3,(H,28,31)/p+1