[1-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl] thiophene-2-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl] thiophene-2-carboxylate Openeye Name: [1-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3-methyl-butyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [1-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-1-oxopentan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-methyl-1-(piperonylcarbamoyl)butyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CS3

InChI

InChI=1S/C19H21NO5S/c1-12(2)8-16(25-19(22)17-4-3-7-26-17)18(21)20-10-13-5-6-14-15(9-13)24-11-23-14/h3-7,9,12,16H,8,10-11H2,1-2H3,(H,20,21)