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

Systemtic Name: butyl 3-[(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)carbonylamino]benzoate Openeye Name: butyl 3-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate CAS Name: 3-[[(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate Traditional Name: 3-[(6-methyl-2,3-dihydro-1,4-oxathiin-5-carbonyl)amino]benzoic acid butyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4S/c1-3-4-8-22-17(20)13-6-5-7-14(11-13)18-16(19)15-12(2)21-9-10-23-15/h5-7,11H,3-4,8-10H2,1-2H3,(H,18,19)