(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: (6-isopropyl-7-methyl-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-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-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C28H22ClNO4S MolecularWeight: 503.99658

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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=C(S5)Cl)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl)C(C)C

InChI

InChI=1S/C28H22ClNO4S/c1-15(2)19-12-20-17(11-27(31)34-24(20)10-16(19)3)14-33-28(32)21-13-23(25-8-9-26(29)35-25)30-22-7-5-4-6-18(21)22/h4-13,15H,14H2,1-3H3