ethyl 3-nitro-5-[[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[[4-(thiazol-2-ylcarbamoyl)phenyl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-[oxo-(2-thiazolylamino)methyl]anilino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]benzoate Traditional Name: 3-nitro-5-[[4-(thiazol-2-ylcarbamoyl)phenyl]carbamoyl]benzoic acid ethyl ester Formula: C20H16N4O6S MolecularWeight: 440.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O6S/c1-2-30-19(27)14-9-13(10-16(11-14)24(28)29)18(26)22-15-5-3-12(4-6-15)17(25)23-20-21-7-8-31-20/h3-11H,2H2,1H3,(H,22,26)(H,21,23,25)