(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-oxo-pentanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-oxopentanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-oxopentanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-keto-valeronitrile Formula: C20H16N2O3S2 MolecularWeight: 396.48264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2S1)C#N)SC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C(=O)/C(=C/1\NC2=CC=CC=C2S1)/C#N)SC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H16N2O3S2/c1-12(26-13-6-7-16-17(10-13)25-9-8-24-16)19(23)14(11-21)20-22-15-4-2-3-5-18(15)27-20/h2-7,10,12,22H,8-9H2,1H3/b20-14+