propan-2-yl 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-nitro-4-pyrrolidino-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S/c1-13(2)31-21(28)15-5-7-16-19(12-15)32-22(23-16)24-20(27)14-6-8-17(18(11-14)26(29)30)25-9-3-4-10-25/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,23,24,27)