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

Systemtic Name: ethyl 3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)piperidino]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C27H27N3O3S2 MolecularWeight: 505.65158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H27N3O3S2/c1-2-33-27(32)25-21(16-23(34-25)18-8-4-3-5-9-18)28-24(31)17-30-14-12-19(13-15-30)26-29-20-10-6-7-11-22(20)35-26/h3-11,16,19H,2,12-15,17H2,1H3,(H,28,31)