[(4S)-5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxy-methanolate

Systemtic Name: [(4S)-5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxy-methanolate Openeye Name: [(4S)-5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxy-methanolate CAS Name: [(4S)-5-cyano-6-mercapto-2-methyl-4-(2-nitrophenyl)-4H-pyridin-3-ylidene]-ethoxymethanolate IUPAC Name: [(4S)-5-cyano-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]-ethoxymethanolate Traditional Name: [(4S)-5-cyano-6-mercapto-2-methyl-4-(2-nitrophenyl)-4H-pyridin-3-ylidene]-ethoxy-methanolate Formula: C16H14N3O4S- MolecularWeight: 344.36506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S/c1-3-23-16(20)13-9(2)18-15(24)11(8-17)14(13)10-6-4-5-7-12(10)19(21)22/h4-7,14,20,24H,3H2,1-2H3/p-1/t14-/m1/s1