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

Systemtic Name: ethyl 2-chloranyl-5-[(6-ethyl-2,3-dihydro-1,4-oxathiin-5-yl)carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H18ClNO4S MolecularWeight: 355.83642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO4S/c1-3-13-14(23-8-7-22-13)15(19)18-10-5-6-12(17)11(9-10)16(20)21-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,19)