(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=C(SN=N2)Cl)NC(=O)C3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=C(SN=N2)Cl)NC(=O)C3CCCCC3)OC

InChI

InChI=1S/C19H22ClN3O5S/c1-26-15-8-12(19(25)28-10-14-17(20)29-23-22-14)13(9-16(15)27-2)21-18(24)11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,21,24)