[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-propan-2-ylquinoline-4-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C23H23NO3S2 MolecularWeight: 425.56362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

InChI

InChI=1S/C23H23NO3S2/c1-14(2)19-13-17(16-6-4-5-7-18(16)24-19)22(25)27-20-9-8-15(12-21(20)26-3)23-28-10-11-29-23/h4-9,12-14,23H,10-11H2,1-3H3