2-(1,3-benzothiazol-2-yl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-3-oxo-butanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-3-oxobutanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-oxobutanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(2,2-dimethylcoumaran-7-yl)oxy-3-keto-butyronitrile Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)C(C#N)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)C(C#N)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H18N2O3S/c1-21(2)10-13-6-5-8-17(19(13)26-21)25-12-16(24)14(11-22)20-23-15-7-3-4-9-18(15)27-20/h3-9,14H,10,12H2,1-2H3