1-(2-ethylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(2-ethylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(2-ethylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(2-ethylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(2-ethylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(2-ethylphenyl)-5-keto-N-(6-nitro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c1-2-12-5-3-4-6-16(12)23-11-13(9-18(23)25)19(26)22-20-21-15-8-7-14(24(27)28)10-17(15)29-20/h3-8,10,13H,2,9,11H2,1H3,(H,21,22,26)