ethyl 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N3O5S2/c1-2-26-19(23)15-7-8-18(27-15)29(24,25)22-11-9-21(10-12-22)13-17-20-14-5-3-4-6-16(14)28-17/h3-8H,2,9-13H2,1H3