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

Systemtic Name: methyl 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C17H18N4O2S2 MolecularWeight: 374.48042

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

Isomeric SMILES

CCNC1=NN=C(S1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

InChI

InChI=1S/C17H18N4O2S2/c1-4-18-16-20-21-17(25-16)24-9-13-14(15(22)23-3)10(2)11-7-5-6-8-12(11)19-13/h5-8H,4,9H2,1-3H3,(H,18,20)