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

Systemtic Name: ethyl 2-[6-butyl-2-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-butyl-2-[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-butyl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H30ClN3O5S3 MolecularWeight: 584.1708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl)S2)CC(=O)OCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl)S2)CC(=O)OCC

InChI

InChI=1S/C25H30ClN3O5S3/c1-3-5-8-17-10-11-18-20(15-17)35-25(28(18)16-22(30)34-4-2)27-24(31)19-9-6-7-14-29(19)37(32,33)23-13-12-21(26)36-23/h10-13,15,19H,3-9,14,16H2,1-2H3