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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO4S/c1-3-6-22-16(20)12-9-11(4-5-13(12)17)18-15(19)14-10(2)21-7-8-23-14/h4-5,9H,3,6-8H2,1-2H3,(H,18,19)