(1S,2S,3S)-1-cyano-2-(4-methoxyphenyl)-3-thiophen-2-ylcarbonyl-cyclopropane-1-carbothioamide

Systemtic Name: (1S,2S,3S)-1-cyano-2-(4-methoxyphenyl)-3-thiophen-2-ylcarbonyl-cyclopropane-1-carbothioamide Openeye Name: (1S,2S,3S)-1-cyano-2-(4-methoxyphenyl)-3-(thiophene-2-carbonyl)cyclopropanecarbothioamide CAS Name: (1S,2S,3S)-1-cyano-2-(4-methoxyphenyl)-3-[oxo(thiophen-2-yl)methyl]-1-cyclopropanecarbothioamide IUPAC Name: (1S,2S,3S)-1-cyano-2-(4-methoxyphenyl)-3-(thiophene-2-carbonyl)cyclopropane-1-carbothioamide Traditional Name: (1S,2S,3S)-1-cyano-2-(4-methoxyphenyl)-3-(2-thenoyl)cyclopropanecarbothioamide Formula: C17H14N2O2S2 MolecularWeight: 342.43526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C2(C#N)C(=S)N)C(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@@H]([C@@]2(C#N)C(=S)N)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H14N2O2S2/c1-21-11-6-4-10(5-7-11)13-14(17(13,9-18)16(19)22)15(20)12-3-2-8-23-12/h2-8,13-14H,1H3,(H2,19,22)/t13-,14-,17+/m1/s1