(2R,3S)-2-(1-adamantylcarbonyl)-3-(5-chloranylthiophen-2-yl)cyclopropane-1,1-dicarbonitrile

Systemtic Name: (2R,3S)-2-(1-adamantylcarbonyl)-3-(5-chloranylthiophen-2-yl)cyclopropane-1,1-dicarbonitrile Openeye Name: (2R,3S)-2-(adamantane-1-carbonyl)-3-(5-chloro-2-thienyl)cyclopropane-1,1-dicarbonitrile CAS Name: (2R,3S)-2-[1-adamantyl(oxo)methyl]-3-(5-chloro-2-thiophenyl)cyclopropane-1,1-dicarbonitrile IUPAC Name: (2R,3S)-2-(adamantane-1-carbonyl)-3-(5-chlorothiophen-2-yl)cyclopropane-1,1-dicarbonitrile Traditional Name: (2R,3S)-2-(adamantane-1-carbonyl)-3-(5-chloro-2-thienyl)cyclopropane-1,1-dicarbonitrile Formula: C20H19ClN2OS MolecularWeight: 370.89566

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C4(C#N)C#N)C5=CC=C(S5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)[C@@H]4[C@@H](C4(C#N)C#N)C5=CC=C(S5)Cl

InChI

InChI=1S/C20H19ClN2OS/c21-15-2-1-14(25-15)16-17(20(16,9-22)10-23)18(24)19-6-11-3-12(7-19)5-13(4-11)8-19/h1-2,11-13,16-17H,3-8H2/t11?,12?,13?,16-,17-,19?/m0/s1