[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C22H21N3O3S/c1-3-7-17-15(4-2)20(16-8-5-6-9-18(16)24-17)22(27)28-13-19(26)25-21-14(12-23)10-11-29-21/h5-6,8-11H,3-4,7,13H2,1-2H3,(H,25,26)