methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxy-2-oxo-ethyl)-2-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[1-oxo-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]ethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxy-2-oxoethyl)-2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-2-[2-[(2-keto-2-pyrrolidino-ethyl)thio]acetyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)N3CCCC3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)N3CCCC3

InChI

InChI=1S/C20H23N3O6S2/c1-28-18(26)10-23-14-6-5-13(19(27)29-2)9-15(14)31-20(23)21-16(24)11-30-12-17(25)22-7-3-4-8-22/h5-6,9H,3-4,7-8,10-12H2,1-2H3