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

Systemtic Name: 2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)-3-thiophen-3-yl-inden-1-imine oxide Openeye Name: 2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)-3-(3-thienyl)inden-1-imine oxide CAS Name: 2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)-3-(3-thiophenyl)-1-indenimine oxide IUPAC Name: 2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)-3-thiophen-3-ylinden-1-imine oxide Traditional Name: 2-carbethoxy-N-methyl-6-(3-phenylpropoxy)-3-(3-thienyl)inden-1-imine oxide Formula: C26H25NO4S MolecularWeight: 447.546

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO4S/c1-3-30-26(28)24-23(19-13-15-32-17-19)21-12-11-20(16-22(21)25(24)27(2)29)31-14-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-13,15-17H,3,7,10,14H2,1-2H3/b27-25+