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

Systemtic Name: ethyl 3-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(4-methyl-5-phenyl-thiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(4-methyl-5-phenyl-2-thiazolyl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-methyl-5-phenyl-thiazol-2-yl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=C(S2)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=C(S2)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S/c1-3-28-19(25)15-9-14(10-16(11-15)23(26)27)18(24)22-20-21-12(2)17(29-20)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,21,22,24)