2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-yl]acetonitrile CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-yl]acetonitrile Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=CSC(=N3)CC#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CSC(=N3)CC#N)OC1

InChI

InChI=1S/C14H12N2O2S/c15-5-4-14-16-11(9-19-14)10-2-3-12-13(8-10)18-7-1-6-17-12/h2-3,8-9H,1,4,6-7H2