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

Systemtic Name: ethyl 2-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H26ClN3O6S3 MolecularWeight: 572.11704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O6S3/c1-3-33-22(29)15-7-8-16-18(14-15)34-23(26(16)12-13-32-2)25-21(28)17-6-4-5-11-27(17)36(30,31)20-10-9-19(24)35-20/h7-10,14,17H,3-6,11-13H2,1-2H3