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

Systemtic Name: butyl 2-chloranyl-5-[(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)carbonylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C17H20ClNO4S MolecularWeight: 369.863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO4S/c1-3-4-7-23-17(21)13-10-12(5-6-14(13)18)19-16(20)15-11(2)22-8-9-24-15/h5-6,10H,3-4,7-9H2,1-2H3,(H,19,20)