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

Systemtic Name: ethyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(3-methylphenyl)propanoate Openeye Name: ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(m-tolyl)propanoate CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-(3-methylphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(3-methylphenyl)propanoate Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-(m-tolyl)propionic acid ethyl ester Formula: C14H17N3O2S2 MolecularWeight: 323.43368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S2/c1-3-19-12(18)11(20-14-17-16-13(15)21-14)8-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3,(H2,15,16)