2-[(E)-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(E)-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-(4-allyloxy-3-bromo-5-methoxy-phenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-(4-allyloxy-3-bromo-5-methoxy-benzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C20H19BrN2O2S MolecularWeight: 431.34606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/C2=C(C3=C(S2)CCCC3)C#N)Br)OCC=C

InChI

InChI=1S/C20H19BrN2O2S/c1-3-8-25-19-16(21)9-13(10-17(19)24-2)12-23-20-15(11-22)14-6-4-5-7-18(14)26-20/h3,9-10,12H,1,4-8H2,2H3/b23-12+