[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-13(2)9-10-23-20(25)12-27-21(26)15-11-17(18-7-8-19(22)28-18)24-16-6-4-3-5-14(15)16/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,25)