ethyl 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylimino-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylimino-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]imino-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[1-(4-chlorophenyl)sulfonylisonipecotoyl]imino-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H26ClN3O7S2 MolecularWeight: 580.07284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)S2)CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)S2)CC(=O)OC

InChI

InChI=1S/C25H26ClN3O7S2/c1-3-36-24(32)17-4-9-20-21(14-17)37-25(29(20)15-22(30)35-2)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