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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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