methyl 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]carbonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]carbonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[5-(1,3-benzothiazol-2-yl)-2-furoyl]-4-phenyl-isonipecotic acid methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C25H22N2O4S/c1-30-24(29)25(17-7-3-2-4-8-17)13-15-27(16-14-25)23(28)20-12-11-19(31-20)22-26-18-9-5-6-10-21(18)32-22/h2-12H,13-16H2,1H3