4-azanylidene-1-ethyl-7-ethylsulfanyl-6-oxidanyl-quinoline-3-carboxylic acid

Systemtic Name: 4-azanylidene-1-ethyl-7-ethylsulfanyl-6-oxidanyl-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-7-ethylsulfanyl-6-hydroxy-4-imino-quinoline-3-carboxylic acid CAS Name: 1-ethyl-7-(ethylthio)-6-hydroxy-4-imino-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-7-ethylsulfanyl-6-hydroxy-4-iminoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-7-(ethylthio)-6-hydroxy-4-imino-quinoline-3-carboxylic acid Formula: C14H16N2O3S MolecularWeight: 292.35344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N)C2=CC(=C(C=C21)SCC)O)C(=O)O

Isomeric SMILES

CCN1C=C(C(=N)C2=CC(=C(C=C21)SCC)O)C(=O)O

InChI

InChI=1S/C14H16N2O3S/c1-3-16-7-9(14(18)19)13(15)8-5-11(17)12(20-4-2)6-10(8)16/h5-7,15,17H,3-4H2,1-2H3,(H,18,19)