ethyl 2-[[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20ClN3O5S3 MolecularWeight: 514.0379

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H20ClN3O5S3/c1-2-29-19(26)12-6-7-13-15(11-12)30-20(22-13)23-18(25)14-5-3-4-10-24(14)32(27,28)17-9-8-16(21)31-17/h6-9,11,14H,2-5,10H2,1H3,(H,22,23,25)