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

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 5-nitrothiophene-2-carboxylate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C16H13N3O4S2 MolecularWeight: 375.42212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4S2/c20-15(12-5-6-14(24-12)19(21)22)23-10-3-4-11-13(9-10)25-16(17-11)18-7-1-2-8-18/h3-6,9H,1-2,7-8H2