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

Systemtic Name: methyl 3-methyl-2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-methyl-2-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-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-methyl-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-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S2/c1-20-13-6-5-12(17(24)25-2)9-14(13)27-18(20)19-15(22)10-26-11-16(23)21-7-3-4-8-21/h5-6,9H,3-4,7-8,10-11H2,1-2H3