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

Systemtic Name: methyl 2-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylimino-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]imino-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]imino-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H22ClN3O7S3 MolecularWeight: 572.07398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C22H22ClN3O7S3/c1-32-18(27)12-25-14-7-6-13(21(29)33-2)11-16(14)34-22(25)24-20(28)15-5-3-4-10-26(15)36(30,31)19-9-8-17(23)35-19/h6-9,11,15H,3-5,10,12H2,1-2H3