methyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(4-chlorophenyl)propanoate

Systemtic Name: methyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(4-chlorophenyl)propanoate Openeye Name: methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(4-chlorophenyl)propanoate CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-(4-chlorophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(4-chlorophenyl)propanoate Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-(4-chlorophenyl)propionic acid methyl ester Formula: C12H12ClN3O2S2 MolecularWeight: 329.82558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)Cl)SC2=NN=C(S2)N

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)Cl)SC2=NN=C(S2)N

InChI

InChI=1S/C12H12ClN3O2S2/c1-18-10(17)9(19-12-16-15-11(14)20-12)6-7-2-4-8(13)5-3-7/h2-5,9H,6H2,1H3,(H2,14,15)