(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C26H18ClNO4S MolecularWeight: 475.94342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl)C

InChI

InChI=1S/C26H18ClNO4S/c1-14-7-8-17-16(11-24(29)32-25(17)15(14)2)13-31-26(30)19-12-21(22-9-10-23(27)33-22)28-20-6-4-3-5-18(19)20/h3-12H,13H2,1-2H3