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

Systemtic Name: ethyl 3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(4-acetamidophenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(4-acetamidophenyl)-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(4-acetamidophenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H18N4O6S MolecularWeight: 454.45582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O6S/c1-3-31-20(28)15-8-14(9-17(10-15)25(29)30)19(27)24-21-23-18(11-32-21)13-4-6-16(7-5-13)22-12(2)26/h4-11H,3H2,1-2H3,(H,22,26)(H,23,24,27)