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

Systemtic Name: (E)-3-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: (E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-ethylphenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: (E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-ethylphenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: (E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: (E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-ethylphenyl)thiazol-2-yl]acrylonitrile Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)C(=CNC3=CC4=C(C=C3C(=O)C)OCO4)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC4=C(C=C3C(=O)C)OCO4)/C#N

InChI

InChI=1S/C23H19N3O3S/c1-3-15-4-6-16(7-5-15)20-12-30-23(26-20)17(10-24)11-25-19-9-22-21(28-13-29-22)8-18(19)14(2)27/h4-9,11-12,25H,3,13H2,1-2H3/b17-11+