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

Systemtic Name: (2-methylcyclohexyl) 2-chloranyl-5-[(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)carbonylamino]benzoate Openeye Name: (2-methylcyclohexyl) 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 (2-methylcyclohexyl) ester IUPAC Name: (2-methylcyclohexyl) 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 (2-methylcyclohexyl) ester Formula: C20H24ClNO4S MolecularWeight: 409.92686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1OC(=O)C2=C(C=CC(=C2)NC(=O)C3=C(OCCS3)C)Cl

Isomeric SMILES

CC1CCCCC1OC(=O)C2=C(C=CC(=C2)NC(=O)C3=C(OCCS3)C)Cl

InChI

InChI=1S/C20H24ClNO4S/c1-12-5-3-4-6-17(12)26-20(24)15-11-14(7-8-16(15)21)22-19(23)18-13(2)25-9-10-27-18/h7-8,11-12,17H,3-6,9-10H2,1-2H3,(H,22,23)