[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 6-methoxy-2-methyl-quinoline-3-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 6-methoxy-2-methyl-quinoline-3-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 6-methoxy-2-methyl-quinoline-3-carboxylate CAS Name: 6-methoxy-2-methyl-3-quinolinecarboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 6-methoxy-2-methylquinoline-3-carboxylate Traditional Name: 6-methoxy-2-methyl-quinoline-3-carboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

InChI

InChI=1S/C22H21NO4S2/c1-13-17(11-15-10-16(25-2)5-6-18(15)23-13)21(24)27-19-7-4-14(12-20(19)26-3)22-28-8-9-29-22/h4-7,10-12,22H,8-9H2,1-3H3