2-(1,3-benzothiazol-2-yl)-3-(2-hexoxy-3-methoxy-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(2-hexoxy-3-methoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(2-hexoxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(2-hexoxy-3-methoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(2-hexoxy-3-methoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(2-hexoxy-3-methoxy-phenyl)acrylonitrile Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC=C1OC)C=C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCOC1=C(C=CC=C1OC)C=C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H24N2O2S/c1-3-4-5-8-14-27-22-17(10-9-12-20(22)26-2)15-18(16-24)23-25-19-11-6-7-13-21(19)28-23/h6-7,9-13,15H,3-5,8,14H2,1-2H3