2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[3-cyano-4-(2-furyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(2-furanyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetate IUPAC Name: 2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-cyano-4-(2-furyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetate Formula: C16H13N2O3S- MolecularWeight: 313.35102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)[O-])C#N)C3=CC=CO3

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)[O-])C#N)C3=CC=CO3

InChI

InChI=1S/C16H14N2O3S/c17-8-11-15(13-6-3-7-21-13)10-4-1-2-5-12(10)18-16(11)22-9-14(19)20/h3,6-7H,1-2,4-5,9H2,(H,19,20)/p-1