methyl 2-(1,3-benzodioxol-5-yl)-4-methoxy-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-4-methoxy-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2H-pyrrole-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-4-methoxy-5-oxo-1-(p-tolylsulfonyl)-2H-pyrrole-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-4-methoxy-1-(4-methylphenyl)sulfonyl-5-oxo-2H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-4-methoxy-1-(4-methylphenyl)sulfonyl-5-oxo-2H-pyrrole-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-keto-4-methoxy-1-tosyl-3-pyrroline-3-carboxylic acid methyl ester Formula: C21H19NO8S MolecularWeight: 445.44246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(=C(C2=O)OC)C(=O)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(=C(C2=O)OC)C(=O)OC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19NO8S/c1-12-4-7-14(8-5-12)31(25,26)22-18(13-6-9-15-16(10-13)30-11-29-15)17(21(24)28-3)19(27-2)20(22)23/h4-10,18H,11H2,1-3H3