ethyl 3-(4-chlorophenyl)carbonyl-2-methyl-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: ethyl 3-(4-chlorophenyl)carbonyl-2-methyl-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl 3-(4-chlorobenzoyl)-2-methyl-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxylate CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-2-methyl-5-(methylthio)-1,3,4-thiadiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorobenzoyl)-2-methyl-5-methylsulfanyl-1,3,4-thiadiazole-2-carboxylate Traditional Name: 3-(4-chlorobenzoyl)-2-methyl-5-(methylthio)-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Formula: C14H15ClN2O3S2 MolecularWeight: 358.8635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(N(N=C(S1)SC)C(=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1(N(N=C(S1)SC)C(=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C14H15ClN2O3S2/c1-4-20-12(19)14(2)17(16-13(21-3)22-14)11(18)9-5-7-10(15)8-6-9/h5-8H,4H2,1-3H3