[2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[ethanoyl-(3-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(N-acetyl-3-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(N-acetyl-3-methyl-anilino)thiazol-4-yl]methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5S/c1-13-4-3-5-17(8-13)23(14(2)24)21-22-16(11-29-21)10-26-20(25)15-6-7-18-19(9-15)28-12-27-18/h3-9,11H,10,12H2,1-2H3