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

Systemtic Name: methyl 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18N4O5S MolecularWeight: 426.44572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5S/c1-29-19(26)13-4-6-14-17(11-13)30-20(21-14)22-18(25)12-5-7-15(16(10-12)24(27)28)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22,25)