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

Systemtic Name: propan-2-yl 2-chloranyl-5-[(6-phenyl-2,3-dihydro-1,4-oxathiin-5-yl)carbonylamino]benzoate Openeye Name: isopropyl 2-chloro-5-[(6-phenyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate CAS Name: 2-chloro-5-[[oxo-(6-phenyl-2,3-dihydro-1,4-oxathiin-5-yl)methyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chloro-5-[(6-phenyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate Traditional Name: 2-chloro-5-[(6-phenyl-2,3-dihydro-1,4-oxathiin-5-carbonyl)amino]benzoic acid isopropyl ester Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(OCCS2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(OCCS2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClNO4S/c1-13(2)27-21(25)16-12-15(8-9-17(16)22)23-20(24)19-18(26-10-11-28-19)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,23,24)