(5-methyl-1,2-oxazol-3-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2=CC=CC=C2SCC(=O)N(C)C

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2=CC=CC=C2SCC(=O)N(C)C

InChI

InChI=1S/C16H18N2O4S/c1-11-8-12(17-22-11)9-21-16(20)13-6-4-5-7-14(13)23-10-15(19)18(2)3/h4-8H,9-10H2,1-3H3