cyclohexyl 2-chloranyl-5-[(6-ethyl-2,3-dihydro-1,4-oxathiin-5-yl)carbonylamino]benzoate

Systemtic Name: cyclohexyl 2-chloranyl-5-[(6-ethyl-2,3-dihydro-1,4-oxathiin-5-yl)carbonylamino]benzoate Openeye Name: cyclohexyl 2-chloro-5-[(6-ethyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate CAS Name: 2-chloro-5-[[(6-ethyl-2,3-dihydro-1,4-oxathiin-5-yl)-oxomethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-chloro-5-[(6-ethyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate Traditional Name: 2-chloro-5-[(6-ethyl-2,3-dihydro-1,4-oxathiin-5-carbonyl)amino]benzoic acid cyclohexyl ester Formula: C20H24ClNO4S MolecularWeight: 409.92686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SCCO1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC3CCCCC3

Isomeric SMILES

CCC1=C(SCCO1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC3CCCCC3

InChI

InChI=1S/C20H24ClNO4S/c1-2-17-18(27-11-10-25-17)19(23)22-13-8-9-16(21)15(12-13)20(24)26-14-6-4-3-5-7-14/h8-9,12,14H,2-7,10-11H2,1H3,(H,22,23)