N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-ethanamide

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-ethanamide Openeye Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-acetamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]acetamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCCC3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCCC3

InChI

InChI=1S/C18H18N4O4S2/c1-2-7-21-14-6-5-13(22(25)26)10-15(14)28-18(21)19-16(23)11-27-12-17(24)20-8-3-4-9-20/h1,5-6,10H,3-4,7-9,11-12H2