(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-phenylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-phenyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-(4-phenylthiazol-2-yl)acrylonitrile Formula: C20H14N2O3S MolecularWeight: 362.40176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=C(C#N)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=C(\C#N)/C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H14N2O3S/c1-23-17-8-13(9-18-19(17)25-12-24-18)7-15(10-21)20-22-16(11-26-20)14-5-3-2-4-6-14/h2-9,11H,12H2,1H3/b15-7+