methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxy-2-oxo-ethyl)-2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxy-2-oxoethyl)-2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-[1-(4-fluorophenyl)sulfonylisonipecotoyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C25H26FN3O7S2 MolecularWeight: 563.618243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H26FN3O7S2/c1-3-36-22(30)15-29-20-9-4-17(24(32)35-2)14-21(20)37-25(29)27-23(31)16-10-12-28(13-11-16)38(33,34)19-7-5-18(26)6-8-19/h4-9,14,16H,3,10-13,15H2,1-2H3