ethyl 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylimino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylimino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[1-(4-chlorophenyl)sulfonylprolyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H28ClN3O6S2 MolecularWeight: 566.08932

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H28ClN3O6S2/c1-3-34-15-14-28-20-12-7-17(24(31)35-4-2)16-22(20)36-25(28)27-23(30)21-6-5-13-29(21)37(32,33)19-10-8-18(26)9-11-19/h7-12,16,21H,3-6,13-15H2,1-2H3