N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C19H16N4O5S3 MolecularWeight: 476.54914

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C#CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H16N4O5S3/c1-2-9-21-15-12-13(23(25)26)7-8-16(15)30-19(21)20-18(24)14-5-3-10-22(14)31(27,28)17-6-4-11-29-17/h1,4,6-8,11-12,14H,3,5,9-10H2