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

Systemtic Name: methyl 2-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22ClN3O5S3 MolecularWeight: 528.06448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H22ClN3O5S3/c1-3-24-14-8-7-13(20(27)30-2)12-16(14)31-21(24)23-19(26)15-6-4-5-11-25(15)33(28,29)18-10-9-17(22)32-18/h7-10,12,15H,3-6,11H2,1-2H3