(E)-2-(1,3-benzothiazol-2-yl)-3-(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-benzyloxy-3-chloro-5-ethoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-benzoxy-3-chloro-5-ethoxy-phenyl)acrylonitrile Formula: C25H19ClN2O2S MolecularWeight: 446.94856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)Cl)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C25H19ClN2O2S/c1-2-29-22-14-18(13-20(26)24(22)30-16-17-8-4-3-5-9-17)12-19(15-27)25-28-21-10-6-7-11-23(21)31-25/h3-14H,2,16H2,1H3/b19-12+