2-(1,3-benzothiazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-oxo-propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-oxopropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(2,6-dimethoxyphenyl)-3-keto-propionitrile Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O3S/c1-22-13-7-5-8-14(23-2)16(13)17(21)11(10-19)18-20-12-6-3-4-9-15(12)24-18/h3-9,11H,1-2H3