(E)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-propoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-propoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-propoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-propoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-propoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-propoxy-phenyl)acrylonitrile Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C20H18N2O2S/c1-3-10-24-18-12-14(8-9-17(18)23-2)11-15(13-21)20-22-16-6-4-5-7-19(16)25-20/h4-9,11-12H,3,10H2,1-2H3/b15-11+