(E)-2-(1,3-benzothiazol-2-yl)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-isobutoxy-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-isobutoxy-4-methoxy-phenyl)acrylonitrile Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CC(C)COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C21H20N2O2S/c1-14(2)13-25-19-11-15(8-9-18(19)24-3)10-16(12-22)21-23-17-6-4-5-7-20(17)26-21/h4-11,14H,13H2,1-3H3/b16-10+