[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C24H17ClN2O5S MolecularWeight: 480.92018

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl

InChI

InChI=1S/C24H17ClN2O5S/c25-22-8-7-21(33-22)18-12-16(15-3-1-2-4-17(15)27-18)24(29)32-13-23(28)26-14-5-6-19-20(11-14)31-10-9-30-19/h1-8,11-12H,9-10,13H2,(H,26,28)