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

Systemtic Name: 3-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(p-tolyl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-methylphenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(p-tolyl)thiazol-2-yl]acrylonitrile Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=CC4=C(C=C3C(=O)C)OCO4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=CC4=C(C=C3C(=O)C)OCO4)C#N

InChI

InChI=1S/C22H17N3O3S/c1-13-3-5-15(6-4-13)19-11-29-22(25-19)16(9-23)10-24-18-8-21-20(27-12-28-21)7-17(18)14(2)26/h3-8,10-11,24H,12H2,1-2H3