methyl 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[2-(4-piperonylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O5S/c1-18-24(20-6-4-3-5-7-20)25(27(32)33-2)26(36-18)28-23(31)16-30-12-10-29(11-13-30)15-19-8-9-21-22(14-19)35-17-34-21/h3-9,14H,10-13,15-17H2,1-2H3,(H,28,31)