ethyl 3-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 3-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 3-[1,3-benzothiazol-2-yl(tetrahydrofuran-2-ylmethyl)carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[1,3-benzothiazol-2-yl(2-oxolanylmethyl)amino]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[1,3-benzothiazol-2-yl(tetrahydrofurfuryl)carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(C1)C(=O)N(CC2CCCO2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)N1CCCC(C1)C(=O)N(CC2CCCO2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H27N3O4S/c1-2-27-21(26)23-11-5-7-15(13-23)19(25)24(14-16-8-6-12-28-16)20-22-17-9-3-4-10-18(17)29-20/h3-4,9-10,15-16H,2,5-8,11-14H2,1H3