ethyl 1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C26H26N4O3S/c1-3-33-26(32)21-16-27-30(17(21)2)20-10-8-19(9-11-20)25(31)29-14-12-18(13-15-29)24-28-22-6-4-5-7-23(22)34-24/h4-11,16,18H,3,12-15H2,1-2H3