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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-methylquinoline-4-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H19NO3S2 MolecularWeight: 397.51046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

InChI

InChI=1S/C21H19NO3S2/c1-13-11-16(15-5-3-4-6-17(15)22-13)20(23)25-18-8-7-14(12-19(18)24-2)21-26-9-10-27-21/h3-8,11-12,21H,9-10H2,1-2H3