(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 3-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OCC2=C(SN=N2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OCC2=C(SN=N2)Cl

InChI

InChI=1S/C17H20ClN3O3S/c1-17(2,3)12-6-4-11(5-7-12)16(23)19-9-8-14(22)24-10-13-15(18)25-21-20-13/h4-7H,8-10H2,1-3H3,(H,19,23)