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

Systemtic Name: ethyl 2-[2-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylimino-6-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24ClN3O5S3 MolecularWeight: 542.09106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O5S3/c1-3-31-19(27)13-25-15-8-7-14(2)12-17(15)32-22(25)24-21(28)16-6-4-5-11-26(16)34(29,30)20-10-9-18(23)33-20/h7-10,12,16H,3-6,11,13H2,1-2H3