3-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-(4-phenylthiazol-2-yl)prop-2-enenitrile CAS Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-(4-phenyl-2-thiazolyl)-2-propenenitrile IUPAC Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-(4-phenylthiazol-2-yl)acrylonitrile Formula: C21H15N3O3S MolecularWeight: 389.4271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC=C(C#N)C3=NC(=CS3)C4=CC=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC=C(C#N)C3=NC(=CS3)C4=CC=CC=C4)OCO2

InChI

InChI=1S/C21H15N3O3S/c1-13(25)16-7-19-20(27-12-26-19)8-17(16)23-10-15(9-22)21-24-18(11-28-21)14-5-3-2-4-6-14/h2-8,10-11,23H,12H2,1H3