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

Systemtic Name: methyl 2-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-adamantyl)-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-adamantyl)piperazino]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C29H37N3O3S MolecularWeight: 507.68738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5)C(=O)OC)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5)C(=O)OC)C6=CC=CC=C6

InChI

InChI=1S/C29H37N3O3S/c1-18-25(21-6-4-3-5-7-21)26(29(34)35-2)28(36-18)30-24(33)17-31-8-10-32(11-9-31)27-22-13-19-12-20(15-22)16-23(27)14-19/h3-7,19-20,22-23,27H,8-17H2,1-2H3,(H,30,33)