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

Systemtic Name: ethyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(4-bromophenyl)propanoate Openeye Name: ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(4-bromophenyl)propanoate CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-(4-bromophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(4-bromophenyl)propanoate Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-(4-bromophenyl)propionic acid ethyl ester Formula: C13H14BrN3O2S2 MolecularWeight: 388.30316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)Br)SC2=NN=C(S2)N

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)Br)SC2=NN=C(S2)N

InChI

InChI=1S/C13H14BrN3O2S2/c1-2-19-11(18)10(20-13-17-16-12(15)21-13)7-8-3-5-9(14)6-4-8/h3-6,10H,2,7H2,1H3,(H2,15,16)