[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=NN=C(S3)SCC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=NN=C(S3)SCC

InChI

InChI=1S/C19H20N4O3S2/c1-4-13-11(3)16(12-8-6-7-9-14(12)20-13)17(25)26-10-15(24)21-18-22-23-19(28-18)27-5-2/h6-9H,4-5,10H2,1-3H3,(H,21,22,24)