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

Systemtic Name: cyclobutylmethyl 2-chloranyl-5-[(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)carbonylamino]benzoate Openeye Name: cyclobutylmethyl 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 cyclobutylmethyl ester IUPAC Name: cyclobutylmethyl 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 cyclobutylmethyl ester Formula: C18H20ClNO4S MolecularWeight: 381.8737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SCCO1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OCC3CCC3

Isomeric SMILES

CC1=C(SCCO1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OCC3CCC3

InChI

InChI=1S/C18H20ClNO4S/c1-11-16(25-8-7-23-11)17(21)20-13-5-6-15(19)14(9-13)18(22)24-10-12-3-2-4-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,20,21)