(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H17NO4S MolecularWeight: 427.47178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C25H17NO4S/c1-15-8-9-17-16(12-24(27)30-22(17)11-15)14-29-25(28)19-13-21(23-7-4-10-31-23)26-20-6-3-2-5-18(19)20/h2-13H,14H2,1H3