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

Systemtic Name: ethyl 2-[2-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylimino-6-ethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]imino-6-ethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]imino-6-ethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]imino-6-ethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]imino-6-ethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H26ClN3O5S3 MolecularWeight: 556.11764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl)S2)CC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl)S2)CC(=O)OCC

InChI

InChI=1S/C23H26ClN3O5S3/c1-3-15-8-9-16-18(13-15)33-23(26(16)14-20(28)32-4-2)25-22(29)17-7-5-6-12-27(17)35(30,31)21-11-10-19(24)34-21/h8-11,13,17H,3-7,12,14H2,1-2H3