[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-methylsulfinylbenzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-methylsulfinylbenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-methylsulfinylbenzoate CAS Name: 4-methylsulfinylbenzoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-methylsulfinylbenzoate Traditional Name: 4-methylsulfinylbenzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H17NO6S MolecularWeight: 375.39568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)S(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)S(=O)C

InChI

InChI=1S/C18H17NO6S/c1-11(25-18(21)12-3-6-14(7-4-12)26(2)22)17(20)19-13-5-8-15-16(9-13)24-10-23-15/h3-9,11H,10H2,1-2H3,(H,19,20)