2-(1,3-benzothiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxo-propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxopropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-keto-propionitrile Formula: C18H12N2O3S MolecularWeight: 336.36448

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H12N2O3S/c19-9-11(18-20-12-5-1-4-8-16(12)24-18)17(21)15-10-22-13-6-2-3-7-14(13)23-15/h1-8,11,15H,10H2