2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-benzyloxy-3-ethoxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-benzoxy-3-ethoxy-phenyl)acrylonitrile Formula: C25H20N2O2S2 MolecularWeight: 444.5685

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)OCC4=CC=CC=C4

InChI

InChI=1S/C25H20N2O2S2/c1-2-28-23-15-19(12-13-22(23)29-17-18-8-4-3-5-9-18)14-20(16-26)30-25-27-21-10-6-7-11-24(21)31-25/h3-15H,2,17H2,1H3