ethyl 4-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)isonipecotoyl]amino]benzoic acid ethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C24H27N3O4S/c1-3-30-19-9-10-20-21(15-19)32-24(26-20)27-13-11-16(12-14-27)22(28)25-18-7-5-17(6-8-18)23(29)31-4-2/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,25,28)