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

Systemtic Name: [2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-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-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C17H16N4O3S2/c1-3-25-17-21-20-16(26-17)19-14(22)9-24-15(23)12-8-10(2)18-13-7-5-4-6-11(12)13/h4-8H,3,9H2,1-2H3,(H,19,20,22)