N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C19H20N4O6S3 MolecularWeight: 496.5803

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H20N4O6S3/c1-29-10-9-21-15-12-13(23(25)26)6-7-16(15)31-19(21)20-18(24)14-4-2-8-22(14)32(27,28)17-5-3-11-30-17/h3,5-7,11-12,14H,2,4,8-10H2,1H3