methyl 4-methyl-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[5-(tetrahydrofuran-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[5-(2-oxolanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[5-(tetrahydrofurfurylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(S3)NCC4CCCO4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(S3)NCC4CCCO4)C(=O)OC

InChI

InChI=1S/C20H22N4O3S2/c1-12-14-7-3-4-8-15(14)22-16(17(12)18(25)26-2)11-28-20-24-23-19(29-20)21-10-13-6-5-9-27-13/h3-4,7-8,13H,5-6,9-11H2,1-2H3,(H,21,23)