6-cyano-8-ethyl-4-[(4-methylthiophen-2-yl)methylamino]quinoline-3-carboxylic acid

Systemtic Name: 6-cyano-8-ethyl-4-[(4-methylthiophen-2-yl)methylamino]quinoline-3-carboxylic acid Openeye Name: 6-cyano-8-ethyl-4-[(4-methyl-2-thienyl)methylamino]quinoline-3-carboxylic acid CAS Name: 6-cyano-8-ethyl-4-[(4-methyl-2-thiophenyl)methylamino]-3-quinolinecarboxylic acid IUPAC Name: 6-cyano-8-ethyl-4-[(4-methylthiophen-2-yl)methylamino]quinoline-3-carboxylic acid Traditional Name: 6-cyano-8-ethyl-4-[(4-methyl-2-thienyl)methylamino]quinoline-3-carboxylic acid Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C(C(=CN=C12)C(=O)O)NCC3=CC(=CS3)C)C#N

Isomeric SMILES

CCC1=CC(=CC2=C(C(=CN=C12)C(=O)O)NCC3=CC(=CS3)C)C#N

InChI

InChI=1S/C19H17N3O2S/c1-3-13-5-12(7-20)6-15-17(13)22-9-16(19(23)24)18(15)21-8-14-4-11(2)10-25-14/h4-6,9-10H,3,8H2,1-2H3,(H,21,22)(H,23,24)