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

Systemtic Name: 2-methylpropyl 2-chloranyl-5-[(6-ethyl-2,3-dihydro-1,4-oxathiin-5-yl)carbonylamino]benzoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C18H22ClNO4S MolecularWeight: 383.88958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO4S/c1-4-15-16(25-8-7-23-15)17(21)20-12-5-6-14(19)13(9-12)18(22)24-10-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,20,21)