ethyl 1-[3-(1,3-benzothiazol-2-yl)propanoyl]-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(1,3-benzothiazol-2-yl)propanoyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(1,3-benzothiazol-2-yl)propanoyl]-3-benzyl-piperidine-3-carboxylate CAS Name: 1-[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1,3-benzothiazol-2-yl)propanoyl]-3-benzylpiperidine-3-carboxylate Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)propanoyl]-3-benzyl-nipecotic acid ethyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)CCC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O3S/c1-2-30-24(29)25(17-19-9-4-3-5-10-19)15-8-16-27(18-25)23(28)14-13-22-26-20-11-6-7-12-21(20)31-22/h3-7,9-12H,2,8,13-18H2,1H3