ethyl 3-[3-(4-chlorophenyl)carbonyl-2-methyl-5-methylsulfanyl-1,3,4-thiadiazol-2-yl]propanoate

Systemtic Name: ethyl 3-[3-(4-chlorophenyl)carbonyl-2-methyl-5-methylsulfanyl-1,3,4-thiadiazol-2-yl]propanoate Openeye Name: ethyl 3-[3-(4-chlorobenzoyl)-2-methyl-5-methylsulfanyl-1,3,4-thiadiazol-2-yl]propanoate CAS Name: 3-[3-[(4-chlorophenyl)-oxomethyl]-2-methyl-5-(methylthio)-1,3,4-thiadiazol-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-chlorobenzoyl)-2-methyl-5-methylsulfanyl-1,3,4-thiadiazol-2-yl]propanoate Traditional Name: 3-[3-(4-chlorobenzoyl)-2-methyl-5-(methylthio)-1,3,4-thiadiazol-2-yl]propionic acid ethyl ester Formula: C16H19ClN2O3S2 MolecularWeight: 386.91666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1(N(N=C(S1)SC)C(=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)CCC1(N(N=C(S1)SC)C(=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C16H19ClN2O3S2/c1-4-22-13(20)9-10-16(2)19(18-15(23-3)24-16)14(21)11-5-7-12(17)8-6-11/h5-8H,4,9-10H2,1-3H3