N-(1,3-benzodioxol-5-yl)-4-ethoxy-1,3-dimethyl-6-(4-methylsulfanylphenyl)cyclohepta[c]furan-8-imine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-ethoxy-1,3-dimethyl-6-(4-methylsulfanylphenyl)cyclohepta[c]furan-8-imine Openeye Name: N-(1,3-benzodioxol-5-yl)-4-ethoxy-1,3-dimethyl-6-(4-methylsulfanylphenyl)cyclohepta[c]furan-8-imine CAS Name: N-(1,3-benzodioxol-5-yl)-4-ethoxy-1,3-dimethyl-6-[4-(methylthio)phenyl]-8-cyclohepta[c]furanimine IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-ethoxy-1,3-dimethyl-6-(4-methylsulfanylphenyl)cyclohepta[c]furan-8-imine Traditional Name: 1,3-benzodioxol-5-yl-[4-ethoxy-1,3-dimethyl-6-[4-(methylthio)phenyl]cyclohepta[c]furan-8-ylidene]amine Formula: C27H25NO4S MolecularWeight: 459.5567

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=NC2=CC3=C(C=C2)OCO3)C4=C(OC(=C14)C)C)C5=CC=C(C=C5)SC

Isomeric SMILES

CCOC1=CC(=CC(=NC2=CC3=C(C=C2)OCO3)C4=C(OC(=C14)C)C)C5=CC=C(C=C5)SC

InChI

InChI=1S/C27H25NO4S/c1-5-29-25-13-19(18-6-9-21(33-4)10-7-18)12-22(26-16(2)32-17(3)27(25)26)28-20-8-11-23-24(14-20)31-15-30-23/h6-14H,5,15H2,1-4H3