(E)-3-(2,5-dimethoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(2,5-dimethoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(2,5-dimethoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(2,5-dimethoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(2,5-dimethoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(2,5-dimethoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acrylonitrile Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=C(C#N)C2=NC3=C(S2)CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=C(\C#N)/C2=NC3=C(S2)CCCC3

InChI

InChI=1S/C18H18N2O2S/c1-21-14-7-8-16(22-2)12(10-14)9-13(11-19)18-20-15-5-3-4-6-17(15)23-18/h7-10H,3-6H2,1-2H3/b13-9+