4-[4-(1,3-benzothiazol-2-yloxy)phenoxy]-2-methyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yloxy)phenoxy]-2-methyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[4-(1,3-benzothiazol-2-yloxy)phenoxy]-2-methyl-3-oxo-butanenitrile CAS Name: 4-[4-(1,3-benzothiazol-2-yloxy)phenoxy]-2-methyl-3-oxobutanenitrile IUPAC Name: 4-[4-(1,3-benzothiazol-2-yloxy)phenoxy]-2-methyl-3-oxobutanenitrile Traditional Name: 4-[4-(1,3-benzothiazol-2-yloxy)phenoxy]-3-keto-2-methyl-butyronitrile Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C(=O)COC1=CC=C(C=C1)OC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C#N)C(=O)COC1=CC=C(C=C1)OC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H14N2O3S/c1-12(10-19)16(21)11-22-13-6-8-14(9-7-13)23-18-20-15-4-2-3-5-17(15)24-18/h2-9,12H,11H2,1H3