(1S,2S,3R)-1-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)-3-(furan-2-ylcarbonyl)cyclopropane-1-carbonitrile

Systemtic Name: (1S,2S,3R)-1-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)-3-(furan-2-ylcarbonyl)cyclopropane-1-carbonitrile Openeye Name: (1S,2S,3R)-1-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)-3-(furan-2-carbonyl)cyclopropanecarbonitrile CAS Name: (1S,2S,3R)-1-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)-3-[2-furanyl(oxo)methyl]-1-cyclopropanecarbonitrile IUPAC Name: (1S,2S,3R)-1-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)-3-(furan-2-carbonyl)cyclopropane-1-carbonitrile Traditional Name: (1S,2S,3R)-1-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)-3-(2-furoyl)cyclopropanecarbonitrile Formula: C22H13ClN2O2S MolecularWeight: 404.86882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3(C(C3C(=O)C4=CC=CO4)C5=CC=C(C=C5)Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)[C@]3([C@@H]([C@H]3C(=O)C4=CC=CO4)C5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C22H13ClN2O2S/c23-14-9-7-13(8-10-14)18-19(20(26)16-5-3-11-27-16)22(18,12-24)21-25-15-4-1-2-6-17(15)28-21/h1-11,18-19H/t18-,19+,22+/m1/s1