(E)-2-(1,3-benzothiazol-2-yl)-3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-methoxy-4-(2-thienylmethoxy)phenyl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-methoxy-4-(2-thenyloxy)phenyl]acrylonitrile Formula: C22H16N2O2S2 MolecularWeight: 404.50464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OCC4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OCC4=CC=CS4

InChI

InChI=1S/C22H16N2O2S2/c1-25-20-12-15(8-9-19(20)26-14-17-5-4-10-27-17)11-16(13-23)22-24-18-6-2-3-7-21(18)28-22/h2-12H,14H2,1H3/b16-11+