2-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(3-ethoxy-4-propargyloxy-benzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)OCC#C

InChI

InChI=1S/C21H20N2O2S/c1-3-11-25-18-10-9-15(12-19(18)24-4-2)14-23-21-17(13-22)16-7-5-6-8-20(16)26-21/h1,9-10,12,14H,4-8,11H2,2H3