(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C20H15N3O4S2 MolecularWeight: 425.4808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O4S2/c24-19(18-10-12-9-13(23(25)26)3-6-16(12)28-18)27-14-4-5-15-17(11-14)29-20(21-15)22-7-1-2-8-22/h3-6,9-11H,1-2,7-8H2