1,3-benzodioxol-5-ylmethyl 5-methyl-4-[(phenylmethyl)carbamoylamino]thiophene-2-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 5-methyl-4-[(phenylmethyl)carbamoylamino]thiophene-2-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-(benzylcarbamoylamino)-5-methyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-[[oxo-[(phenylmethyl)amino]methyl]amino]-2-thiophenecarboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-(benzylcarbamoylamino)-5-methylthiophene-2-carboxylate Traditional Name: 4-(benzylcarbamoylamino)-5-methyl-thiophene-2-carboxylic acid piperonyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)OCC2=CC3=C(C=C2)OCO3)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(S1)C(=O)OCC2=CC3=C(C=C2)OCO3)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O5S/c1-14-17(24-22(26)23-11-15-5-3-2-4-6-15)10-20(30-14)21(25)27-12-16-7-8-18-19(9-16)29-13-28-18/h2-10H,11-13H2,1H3,(H2,23,24,26)