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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]prop-2-enenitrile Openeye Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]acrylonitrile Formula: C22H15N3O5S MolecularWeight: 433.4366

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=CC5=C(C=C4)OCO5)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC=C(C#N)C3=NC(=CS3)C4=CC5=C(C=C4)OCO5)OCO2

InChI

InChI=1S/C22H15N3O5S/c1-12(26)15-5-20-21(30-11-29-20)6-16(15)24-8-14(7-23)22-25-17(9-31-22)13-2-3-18-19(4-13)28-10-27-18/h2-6,8-9,24H,10-11H2,1H3