[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N2O5S/c1-13-2-4-14(5-3-13)21-23-16(11-29-21)10-26-19(24)9-22-20(25)15-6-7-17-18(8-15)28-12-27-17/h2-8,11H,9-10,12H2,1H3,(H,22,25)