(E)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-2-phenylmethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-2-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-benzyloxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-2-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-benzoxy-3-methoxy-phenyl)acrylonitrile Formula: C24H18N2O2S MolecularWeight: 398.47692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC=C2)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H18N2O2S/c1-27-21-12-7-10-18(23(21)28-16-17-8-3-2-4-9-17)14-19(15-25)24-26-20-11-5-6-13-22(20)29-24/h2-14H,16H2,1H3/b19-14+