ethyl 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)piperidino]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H29N3O3S2 MolecularWeight: 519.67816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CN3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CN3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H29N3O3S2/c1-3-34-28(33)25-24(19-9-5-4-6-10-19)18(2)35-27(25)30-23(32)17-31-15-13-20(14-16-31)26-29-21-11-7-8-12-22(21)36-26/h4-12,20H,3,13-17H2,1-2H3,(H,30,32)