[(3R,4S)-4-(3-chlorophenyl)-3-cyano-6-methyl-2-sulfanylidene-3,4-dihydropyridin-5-ylidene]-ethoxy-methanolate

Systemtic Name: [(3R,4S)-4-(3-chlorophenyl)-3-cyano-6-methyl-2-sulfanylidene-3,4-dihydropyridin-5-ylidene]-ethoxy-methanolate Openeye Name: [(3R,4S)-4-(3-chlorophenyl)-3-cyano-6-methyl-2-thioxo-3,4-dihydropyridin-5-ylidene]-ethoxy-methanolate CAS Name: [(3R,4S)-4-(3-chlorophenyl)-3-cyano-6-methyl-2-sulfanylidene-3,4-dihydropyridin-5-ylidene]-ethoxymethanolate IUPAC Name: [(3R,4S)-4-(3-chlorophenyl)-3-cyano-6-methyl-2-sulfanylidene-3,4-dihydropyridin-5-ylidene]-ethoxymethanolate Traditional Name: [(3R,4S)-4-(3-chlorophenyl)-3-cyano-6-methyl-2-thioxo-3,4-dihydropyridin-5-ylidene]-ethoxy-methanolate Formula: C16H14ClN2O2S- MolecularWeight: 333.81256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(C(C(=S)N=C1C)C#N)C2=CC(=CC=C2)Cl)[O-]

Isomeric SMILES

CCOC(=C1[C@@H]([C@@H](C(=S)N=C1C)C#N)C2=CC(=CC=C2)Cl)[O-]

InChI

InChI=1S/C16H15ClN2O2S/c1-3-21-16(20)13-9(2)19-15(22)12(8-18)14(13)10-5-4-6-11(17)7-10/h4-7,12,14,20H,3H2,1-2H3/p-1/t12-,14+/m0/s1