3-oxidanylidene-4-[4-[(5-propoxy-1,3-benzothiazol-2-yl)oxy]phenoxy]-2-pyrrol-1-ylcarbonyl-butanenitrile

Systemtic Name: 3-oxidanylidene-4-[4-[(5-propoxy-1,3-benzothiazol-2-yl)oxy]phenoxy]-2-pyrrol-1-ylcarbonyl-butanenitrile Openeye Name: 3-oxo-4-[4-[(5-propoxy-1,3-benzothiazol-2-yl)oxy]phenoxy]-2-(pyrrole-1-carbonyl)butanenitrile CAS Name: 3-oxo-2-[oxo(1-pyrrolyl)methyl]-4-[4-[(5-propoxy-1,3-benzothiazol-2-yl)oxy]phenoxy]butanenitrile IUPAC Name: 3-oxo-4-[4-[(5-propoxy-1,3-benzothiazol-2-yl)oxy]phenoxy]-2-(pyrrole-1-carbonyl)butanenitrile Traditional Name: 3-keto-4-[4-[(5-propoxy-1,3-benzothiazol-2-yl)oxy]phenoxy]-2-(pyrrole-1-carbonyl)butyronitrile Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)SC(=N2)OC3=CC=C(C=C3)OCC(=O)C(C#N)C(=O)N4C=CC=C4

Isomeric SMILES

CCCOC1=CC2=C(C=C1)SC(=N2)OC3=CC=C(C=C3)OCC(=O)C(C#N)C(=O)N4C=CC=C4

InChI

InChI=1S/C25H21N3O5S/c1-2-13-31-19-9-10-23-21(14-19)27-25(34-23)33-18-7-5-17(6-8-18)32-16-22(29)20(15-26)24(30)28-11-3-4-12-28/h3-12,14,20H,2,13,16H2,1H3