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

Systemtic Name: methyl 3-(2-methoxyethyl)-2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxyethyl)-2-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxyethyl)-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-methoxyethyl)-2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[(2-keto-2-pyrrolidino-ethyl)thio]acetyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)N3CCCC3

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)N3CCCC3

InChI

InChI=1S/C20H25N3O5S2/c1-27-10-9-23-15-6-5-14(19(26)28-2)11-16(15)30-20(23)21-17(24)12-29-13-18(25)22-7-3-4-8-22/h5-6,11H,3-4,7-10,12-13H2,1-2H3