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

Systemtic Name: pentyl 2-chloranyl-5-[(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)carbonylamino]benzoate Openeye Name: pentyl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate CAS Name: 2-chloro-5-[[(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)-oxomethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate Traditional Name: 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiin-5-carbonyl)amino]benzoic acid amyl ester Formula: C18H22ClNO4S MolecularWeight: 383.88958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(OCCS2)C)Cl

Isomeric SMILES

CCCCCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(OCCS2)C)Cl

InChI

InChI=1S/C18H22ClNO4S/c1-3-4-5-8-24-18(22)14-11-13(6-7-15(14)19)20-17(21)16-12(2)23-9-10-25-16/h6-7,11H,3-5,8-10H2,1-2H3,(H,20,21)