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

Systemtic Name: ethyl 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoylamino]-5-chloranyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]acetyl]amino]-5-chloro-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-oxoethyl]amino]-5-chloro-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]amino]-5-chloro-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)piperidino]acetyl]amino]-5-chloro-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H26ClN3O3S2 MolecularWeight: 540.09664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN3O3S2/c1-2-34-27(33)23-22(17-8-4-3-5-9-17)24(28)36-26(23)30-21(32)16-31-14-12-18(13-15-31)25-29-19-10-6-7-11-20(19)35-25/h3-11,18H,2,12-16H2,1H3,(H,30,32)