(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 3-methyl-2-(p-anisoylamino)butyric acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(SN=N1)Cl)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(C(=O)OCC1=C(SN=N1)Cl)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H18ClN3O4S/c1-9(2)13(16(22)24-8-12-14(17)25-20-19-12)18-15(21)10-4-6-11(23-3)7-5-10/h4-7,9,13H,8H2,1-3H3,(H,18,21)