ethyl 5-[2-(4-methylphenyl)carbonyloxyethanoylimino]-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: ethyl 5-[2-(4-methylphenyl)carbonyloxyethanoylimino]-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl 5-[2-(4-methylbenzoyl)oxyacetyl]imino-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate CAS Name: 5-[2-[(4-methylphenyl)-oxomethoxy]-1-oxoethyl]imino-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-methylbenzoyl)oxyacetyl]imino-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate Traditional Name: 4-(4-nitrophenyl)-5-(2-p-toluoyloxyacetyl)imino-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Formula: C21H18N4O7S MolecularWeight: 470.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=NC(=O)COC(=O)C2=CC=C(C=C2)C)S1)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C(=NC(=O)COC(=O)C2=CC=C(C=C2)C)S1)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O7S/c1-3-31-20(28)18-23-24(15-8-10-16(11-9-15)25(29)30)21(33-18)22-17(26)12-32-19(27)14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3