(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (6-isopropyl-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-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C28H23NO4S MolecularWeight: 469.55152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)C(C)C

InChI

InChI=1S/C28H23NO4S/c1-16(2)20-13-21-18(12-27(30)33-25(21)11-17(20)3)15-32-28(31)22-14-24(26-9-6-10-34-26)29-23-8-5-4-7-19(22)23/h4-14,16H,15H2,1-3H3