[1-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [1-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: 1-[[5-(2-ethoxy-2-oxo-ethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]propyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [1-[[5-(2-ethoxy-2-oxoethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[[5-(2-ethoxy-2-oxoethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid 1-[[5-(2-ethoxy-2-keto-ethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]propyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)CC(=O)OCC)OC(=O)C2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)CC(=O)OCC)OC(=O)C2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C21H22N4O5S/c1-4-16(19(27)23-21-25-24-17(31-21)11-18(26)29-5-2)30-20(28)14-10-12(3)22-15-9-7-6-8-13(14)15/h6-10,16H,4-5,11H2,1-3H3,(H,23,25,27)