ethyl 4-[5-ethanoylimino-4-(2-methoxyethylcarbamoyl)-1,2,3-thiadiazol-2-yl]benzoate

Systemtic Name: ethyl 4-[5-ethanoylimino-4-(2-methoxyethylcarbamoyl)-1,2,3-thiadiazol-2-yl]benzoate Openeye Name: ethyl 4-[5-acetylimino-4-(2-methoxyethylcarbamoyl)thiadiazol-2-yl]benzoate CAS Name: 4-[5-acetylimino-4-[(2-methoxyethylamino)-oxomethyl]-2-thiadiazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-acetylimino-4-(2-methoxyethylcarbamoyl)thiadiazol-2-yl]benzoate Traditional Name: 4-[5-acetylimino-4-(2-methoxyethylcarbamoyl)thiadiazol-2-yl]benzoic acid ethyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2N=C(C(=NC(=O)C)S2)C(=O)NCCOC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2N=C(C(=NC(=O)C)S2)C(=O)NCCOC

InChI

InChI=1S/C17H20N4O5S/c1-4-26-17(24)12-5-7-13(8-6-12)21-20-14(15(23)18-9-10-25-3)16(27-21)19-11(2)22/h5-8H,4,9-10H2,1-3H3,(H,18,23)