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

Systemtic Name: ethyl 2-[3-(4-chlorophenyl)carbonyl-2-methyl-5-methylsulfanyl-1,3,4-thiadiazol-2-yl]ethanoate Openeye Name: ethyl 2-[3-(4-chlorobenzoyl)-2-methyl-5-methylsulfanyl-1,3,4-thiadiazol-2-yl]acetate CAS Name: 2-[3-[(4-chlorophenyl)-oxomethyl]-2-methyl-5-(methylthio)-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-chlorobenzoyl)-2-methyl-5-methylsulfanyl-1,3,4-thiadiazol-2-yl]acetate Traditional Name: 2-[3-(4-chlorobenzoyl)-2-methyl-5-(methylthio)-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester Formula: C15H17ClN2O3S2 MolecularWeight: 372.89008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(N(N=C(S1)SC)C(=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)CC1(N(N=C(S1)SC)C(=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C15H17ClN2O3S2/c1-4-21-12(19)9-15(2)18(17-14(22-3)23-15)13(20)10-5-7-11(16)8-6-10/h5-8H,4,9H2,1-3H3