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

Systemtic Name: pentyl 3-chloranyl-5-[(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)carbonylamino]benzoate Openeye Name: pentyl 3-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate CAS Name: 3-chloro-5-[[(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)-oxomethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 3-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate Traditional Name: 3-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=CC(=CC(=C1)Cl)NC(=O)C2=C(OCCS2)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO4S/c1-3-4-5-6-24-18(22)13-9-14(19)11-15(10-13)20-17(21)16-12(2)23-7-8-25-16/h9-11H,3-8H2,1-2H3,(H,20,21)