tert-butyl 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: tert-butyl 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate Openeye Name: tert-butyl 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-4-methyl-2-[(2-methyl-1-oxopropyl)amino]-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-(isobutyrylamino)-4-methyl-5-(4-piperonylpiperazine-1-carbonyl)thiophene-3-carboxylic acid tert-butyl ester Formula: C27H35N3O6S MolecularWeight: 529.6483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)(C)C)NC(=O)C(C)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)(C)C)NC(=O)C(C)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H35N3O6S/c1-16(2)23(31)28-24-21(26(33)36-27(4,5)6)17(3)22(37-24)25(32)30-11-9-29(10-12-30)14-18-7-8-19-20(13-18)35-15-34-19/h7-8,13,16H,9-12,14-15H2,1-6H3,(H,28,31)