3-(1-benzothiophen-3-yl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide

Systemtic Name: 3-(1-benzothiophen-3-yl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide Openeye Name: 3-(benzothiophen-3-yl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide CAS Name: 3-(1-benzothiophen-3-yl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)-1-indenimine oxide IUPAC Name: 3-(1-benzothiophen-3-yl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide Traditional Name: 3-(benzothiophen-3-yl)-2-carbethoxy-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide Formula: C30H27NO4S MolecularWeight: 497.60468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C1=[N+](C)[O-])C=C(C=C2)OCCCC3=CC=CC=C3)C4=CSC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C\1=C(C2=C(/C1=[N+](/C)\[O-])C=C(C=C2)OCCCC3=CC=CC=C3)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C30H27NO4S/c1-3-34-30(32)28-27(25-19-36-26-14-8-7-13-22(25)26)23-16-15-21(18-24(23)29(28)31(2)33)35-17-9-12-20-10-5-4-6-11-20/h4-8,10-11,13-16,18-19H,3,9,12,17H2,1-2H3/b31-29+