(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[5-(1,3-benzothiazol-2-yl)-2-furyl]-2-(3-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-[5-(1,3-benzothiazol-2-yl)-2-furanyl]-2-[(3-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-(3-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[5-(1,3-benzothiazol-2-yl)-2-furyl]-2-m-anisoyl-acrylonitrile Formula: C22H14N2O3S MolecularWeight: 386.42316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C(=CC2=CC=C(O2)C3=NC4=CC=CC=C4S3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)/C(=C/C2=CC=C(O2)C3=NC4=CC=CC=C4S3)/C#N

InChI

InChI=1S/C22H14N2O3S/c1-26-16-6-4-5-14(11-16)21(25)15(13-23)12-17-9-10-19(27-17)22-24-18-7-2-3-8-20(18)28-22/h2-12H,1H3/b15-12+