N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-ethanamide

Systemtic Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-ethanamide Openeye Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-acetamide CAS Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]acetamide IUPAC Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide Formula: C18H22N4O5S2 MolecularWeight: 438.52108

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCCC3

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCCC3

InChI

InChI=1S/C18H22N4O5S2/c1-27-9-8-21-14-5-4-13(22(25)26)10-15(14)29-18(21)19-16(23)11-28-12-17(24)20-6-2-3-7-20/h4-5,10H,2-3,6-9,11-12H2,1H3