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

Systemtic Name: ethyl 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylimino-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[1-(4-chlorophenyl)sulfonylprolyl]imino-3-(2-ethoxy-2-keto-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)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H26ClN3O7S2/c1-3-35-22(30)15-28-19-12-7-16(24(32)36-4-2)14-21(19)37-25(28)27-23(31)20-6-5-13-29(20)38(33,34)18-10-8-17(26)9-11-18/h7-12,14,20H,3-6,13,15H2,1-2H3