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

Systemtic Name: methyl 2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylimino-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[1-(4-chlorophenyl)sulfonylprolyl]imino-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H22ClN3O7S2 MolecularWeight: 552.01968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H22ClN3O7S2/c1-33-20(28)13-26-17-10-5-14(22(30)34-2)12-19(17)35-23(26)25-21(29)18-4-3-11-27(18)36(31,32)16-8-6-15(24)7-9-16/h5-10,12,18H,3-4,11,13H2,1-2H3