[2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(N-acetylanilino)thiazol-4-yl]methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-(N-acetylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-(N-acetylanilino)thiazol-4-yl]methyl ester Formula: C23H22N4O5S MolecularWeight: 466.50958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C23H22N4O5S/c1-16(28)26(18-7-3-2-4-8-18)23-24-17(15-33-23)14-32-22(29)20-13-19(27(30)31)9-10-21(20)25-11-5-6-12-25/h2-4,7-10,13,15H,5-6,11-12,14H2,1H3