2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl]oxyethanenitrile

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl]oxyethanenitrile Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-chromen-7-yl]oxyacetonitrile CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-1-benzopyran-7-yl]oxy]acetonitrile IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetonitrile Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-chromen-7-yl]oxyacetonitrile Formula: C20H14N2O3S MolecularWeight: 362.40176

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)OCC#N

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)OCC#N

InChI

InChI=1S/C20H14N2O3S/c1-2-12-9-13-17(10-16(12)24-8-7-21)25-11-14(19(13)23)20-22-15-5-3-4-6-18(15)26-20/h3-6,9-11H,2,8H2,1H3