ethyl 1-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(1,3-benzothiazol-2-yl)-2-thienyl]sulfonyl]piperidine-4-carboxylate CAS Name: 1-[[5-(1,3-benzothiazol-2-yl)-2-thiophenyl]sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[[5-(1,3-benzothiazol-2-yl)-2-thienyl]sulfonyl]isonipecotic acid ethyl ester Formula: C19H20N2O4S3 MolecularWeight: 436.5681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N2O4S3/c1-2-25-19(22)13-9-11-21(12-10-13)28(23,24)17-8-7-16(26-17)18-20-14-5-3-4-6-15(14)27-18/h3-8,13H,2,9-12H2,1H3