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

Systemtic Name: methyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(4-butylphenyl)propanoate Openeye Name: methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(4-butylphenyl)propanoate CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-(4-butylphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(4-butylphenyl)propanoate Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-(4-butylphenyl)propionic acid methyl ester Formula: C16H21N3O2S2 MolecularWeight: 351.48684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(C(=O)OC)SC2=NN=C(S2)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(C(=O)OC)SC2=NN=C(S2)N

InChI

InChI=1S/C16H21N3O2S2/c1-3-4-5-11-6-8-12(9-7-11)10-13(14(20)21-2)22-16-19-18-15(17)23-16/h6-9,13H,3-5,10H2,1-2H3,(H2,17,18)