[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C21H17NO6S MolecularWeight: 411.42778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17NO6S/c1-13-8-15(22-28-13)11-29-20-5-3-2-4-16(20)21(24)25-10-17(23)14-6-7-18-19(9-14)27-12-26-18/h2-9H,10-12H2,1H3