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

Systemtic Name: ethyl 4-methyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN=C(S1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C

Isomeric SMILES

CCCNC1=NN=C(S1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C

InChI

InChI=1S/C19H22N4O2S2/c1-4-10-20-18-22-23-19(27-18)26-11-15-16(17(24)25-5-2)12(3)13-8-6-7-9-14(13)21-15/h6-9H,4-5,10-11H2,1-3H3,(H,20,22)